土霉素

土霉素 基本信息
CAS号 79-57-2 分子式 C22H24N2O9
分子量 460.43400 精确质量  460.14800
PSA  201.85000 LogP  -0.54330

等价的CAS号:

79-57-2,14206-58-7,22042-27-9,35259-39-3,65309-81-1,6153-64-6

基本信息 展开↓

CAS号:
79-57-2
3D弹球模型:
立即前往扯扯看
分子式:
C22H24N2O9
分子量:
460.43400
中文名称:
土霉素
英文名称:
oxytetracycline
中文别名:
土霉素;
地霉素;
氧四环素;
4-二甲氨基-1,4,4a,5,5a,6,11,12a-八氢-3,5,6,10,12,12a-六羟基-6-甲基-1,11-二氧代-并四苯-2-甲酰胺;
土霉素碱;
DL-Pantolactone;
NSC 5369;
Nipar S-20;
Nipar S-20 solvent;
Nipar S-30 solvent;
Nitroisopropane;
RCRA waste number U171;
beta-Nitropropane;
Propane, 2-nitro-;
RCRA waste no. U171;
2-Nitropropane;
fleck-flip;
flock flip;
fluate;
lanadin;
lethurin;
narcogen;
narkogen;
narkosoid;
Nialk;
perm-a-chlor;
perm-a-clor;
petzinol;
philex;
threthylene;
Trial;
triasol;
triklone;
Triol;
tri-plus;
tri-plus m;
vestrol;
vitran;
trieline;
1,1,2-trichloroethene;
Acetylene trichloride;
Ethinyl trichloride;
ethylene trichloride;
triciene;
1,1,2-Trichloroethylene;
Tri;
TCE;
trichloroethene;
Westrosol;
Chlorylen;
Gemalgene;
Germalgene;
Tri-Clene;
Trielene;
Trilene;
Trichloran;
Trichloren;
Algylen;
Trimar;
Triline;
Trethylene;
Trichlorathane;
Trichloroethylene (TCE);
Trichloroethylene;
astreptine;
astrocid;
AVC;
Bacteramid;
bactesid;
aniline-p-sulfonic amide;
dipron;
collomide;
colsulanyde;
copticide;
Deseptyl;
ergaseptine;
erysipan;
estreptocida;
F 1162;
fourneau;
Sulfanilamide
英文别名:
oxytetracycline;
oxypam;
macocyn;
adamycin;
(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide;
tarosin;
terramycin dehydrate;
tetran;
oxytetracyline;
terramicin;
biostat;
Oxydon;
Oxytetracycline;
(4S,4aR,5S,5aR,6S,12aS)-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxonaphthacene-2-carboxamide;
Oxytetracyclin;
geotilin;
terramycin;
(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide;
la200;
Oxypan
精确分子量/精确质量:
460.14800
极性分子表面积/PSA:
201.85000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00003700
EINECS:
201-212-8
InChI:
InChI=1/C22H26N2O8/c1-21(31)9-5-4-6-10(25)11(9)17(27)12-13(21)18(28)14-15(24(2)3)16(26)8(20(23)30)7-22(14,32)19(12)29/h4-6,13-15,18,25-26,28-29,31-32H,7H2,1-3H3,(H2,23,30)/t13?,14-,15+,18?,21-,22+/m1/s1

生产制备方法及用途展开↓

制备方法


1.由丙烷经硝化而得。先将丙烷放在预热器内于430-450℃进行预热,然后引入内衬玻璃或二氧化硅的反应塔内。反应塔有几处可向内部丙烷气喷注75%硝酸,反应温度调节到390-440℃,压力0.69-0.86MPa,丙烷与硝酸的摩尔比为5:1,由反应塔出来的气体,经冷凝器冷却,硝基丙烷与稀硝酸即凝缩。而丙烷与气态氧化物则由回收塔回收,丙烷循环使用。所得产品为硝基甲烷10%-30%,硝基乙烷20%-25%,1-硝基丙烷25%,2-硝基丙烷40%。该品也可经丙烯硝化得到。2.由丙烯等不饱和烃经气相或液相硝化,或饱和烃液相硝化亦可制得硝基丙烷。1.由龟裂链霉菌发酵产生,在发酵液中加入碳酸钙,经过滤,将固体干燥而得。

合成制备方法


1.由丙烷经硝化而得。先将丙烷放在预热器内于430-450℃进行预热,然后引入内衬玻璃或二氧化硅的反应塔内。反应塔有几处可向内部丙烷气喷注75%硝酸,反应温度调节到390-440℃,压力0.69-0.86MPa,丙烷与硝酸的摩尔比为5:1,由反应塔出来的气体,经冷凝器冷却,硝基丙烷与稀硝酸即凝缩。而丙烷与气态氧化物则由回收塔回收,丙烷循环使用。所得产品为硝基甲烷10%-30%,硝基乙烷20%-25%,1-硝基丙烷25%,2-硝基丙烷40%。该品也可经丙烯硝化得到。2.由丙烯等不饱和烃经气相或液相硝化,或饱和烃液相硝化亦可制得硝基丙烷。

1.由龟裂链霉菌发酵产生,在发酵液中加入碳酸钙,经过滤,将固体干燥而得。

用途简介


抗生素类医药原料。

用途


1.用作乙烯及环氧树脂涂料的特殊溶剂、火箭燃料、汽油的添加剂等,也用于有机合成

2.饲料土霉素是一种优质、高效的畜禽饲料添加剂,具有治病防病、保健、促进生长的作用,尤其是对猪、鸡等家禽及大牲畜效果更加明显,而且无药残、无毒副作用、不产生抗药性。饲料土霉素对革兰阳性菌,革兰阳性的肺炎球菌、溶血性链球菌、部分葡萄球菌、破伤风杆菌等有抑制作用,高浓度有杀菌作用。对细菌性肠炎、痢疾、钩端螺旋体病、霍乱及气喘等有明显效果。

物化性质展开↓

外观与性状:
淡黄色至黄褐色的,结晶粉末
密度:
1.634 g/cm3 (20ºC)
熔点:
183 °C
沸点:
817.08ºC at 760 mmHg
闪点:
447.954ºC
水溶解性:
0.2 g/L
折射率:
1.749
存储条件/存储方法:
库房低温,通风,干燥
稳定性相关:

与强氧化剂、强碱、强酸、胺类、铜反应。

其它信息:

1.       性状:无色液体

2.       密度(g/mL,25℃)0.992

3.       相对蒸汽密度(g/mL,空气=1):3.06

4.       熔点(ºC):-93

5.       沸点(ºC,常压):120

6.       沸点(ºC,0.3mmHg):未确定

7.       折射率(n20/D):1.394(lit.)

8.       闪点(ºC):24

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):425

11.    蒸气压(mmHg,40ºC):未确定

12.    饱和蒸气压(kPa,15.8ºC):1.33

13.    燃烧热(KJ/mol):1788.6

14.    临界温度(ºC):344.7

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):11.0

18.    爆炸下限(%,V/V):2.2

19.    溶解性:微溶于水,,溶于醇、醚

安全信息展开↓

WGK_Germany:
2
德国有关水污染物质的分类清单
危险类别码:
R36;R63
安全说明:
S22-S24/25-S36/37/39-S26
RTECS号:
QI7875000
安全标志:
S22:不要吸入粉尘。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S24/25:防止皮肤和眼睛接触。
:
危险标志:
Xn:Harmful

化学图谱

  1. 土霉素质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QI7875000
CHEMICAL NAME :
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5, 6,10,12,12a- hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4-alpha,4a-alpha,5-alpha,5a-alpha,6-beta,12a-alp ha))-
CAS REGISTRY NUMBER :
79-57-2
BEILSTEIN REFERENCE NO. :
2714587
LAST UPDATED :
199707
DATA ITEMS CITED :
28
MOLECULAR FORMULA :
C22-H24-N2-O9
MOLECULAR WEIGHT :
460.48
WISWESSER LINE NOTATION :
L E6 C666 BV FV CU GUTTT&J DQ EQ GVZ HQ IN1&1 KQ MQ M1 RQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
114 mg/kg/4D
TOXIC EFFECTS :
Blood - hemorrhage Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
136 mg/kg
TOXIC EFFECTS :
Musculoskeletal - changes in teeth and supporting structures
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
260 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2240 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5706 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
140 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
220 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
2250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6 gm/kg/30D-I
TOXIC EFFECTS :
Gastrointestinal - other changes Kidney, Ureter, Bladder - other changes in urine composition Immunological Including Allergic - decreased immune response
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
160 mg/kg/12D-I
TOXIC EFFECTS :
Immunological Including Allergic - decrease in cellular immune response Immunological Including Allergic - hypersensitivity delayed
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
420 mg/kg
SEX/DURATION :
female 1-39 week(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - other postnatal measures or effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1 gm/kg
SEX/DURATION :
female 6-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1 gm/kg
SEX/DURATION :
female 6-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
800 mg/kg
SEX/DURATION :
female 10-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material) Reproductive - Effects on Embryo or Fetus - other effects to embryo
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
DOSE :
800 mg/kg
SEX/DURATION :
female 12-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
643 mg/kg
SEX/DURATION :
female 18-48 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - body wall
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
643 mg/kg
SEX/DURATION :
female 18-48 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - gastrointestinal system Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
789 mg/kg
SEX/DURATION :
female 10-28 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
80 mg/kg/8D
REFERENCE :
JOURAA Journal of Urology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1917- Volume(issue)/page/year: 112,348,1974 *** REVIEWS *** TOXICOLOGY REVIEW AJMEAZ American Journal of Medicine. (Technical Pub., 875 Third Ave., New York, NY 10022) V.1- 1946- Volume(issue)/page/year: 38,409,1965 TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 2,159,1973 TOXICOLOGY REVIEW ADTEAS Advances in Teratology. (New York, NY) V.1-5, 1966-72. Discontinued. Volume(issue)/page/year: 2,239,1967 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84638 No. of Facilities: 537 (estimated) No. of Industries: 5 No. of Occupations: 14 No. of Employees: 3836 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84638 No. of Facilities: 478 (estimated) No. of Industries: 3 No. of Occupations: 7 No. of Employees: 10418 (estimated) No. of Female Employees: 7548 (estimated)
毒理学数据:

1、急性毒性:大鼠经口LD50:720mg/kg;大鼠经吸入LC50:1456mg/m3/6H;

MSDS 展开↓

Name: Oxytetracycline Material Safety Data Sheet
Synonym: Hydrocyclin; Tetramine; Tetran Hydrochloride; Tetramycin Hydrochloride
CAS: 79-57-2
Section 1 - Chemical Product   MSDS Name:Oxytetracycline Material Safety Data Sheet
Synonym:Hydrocyclin; Tetramine; Tetran Hydrochloride; Tetramycin Hydrochloride

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
79-57-2 Oxytetracycline 100 201-212-8
Hazard Symbols: XN
Risk Phrases: 63

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Possible risk of harm to the unborn child.Light sensitive.
Potential Health Effects
Eye:
May cause eye irritation and possible burns.
Skin:
May cause skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause an anticoagulant effect in the blood.
Inhalation:
Dust is irritating to the respiratory tract. May cause respiratory tract irritation.
Chronic:
May cause reproductive and fetal effects. Chronic exposure may cause blood effects.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Substance is noncombustible. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Use water spray to reduce vapors or divert vapor cloud drift.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Store protected from light.
Storage:
Store in a cool, dry place. Do not store in direct sunlight. Keep from freezing. Keep container closed when not in use. Store below 40C.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 79-57-2: Russia: 0.1 mg/m3 TWA Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions. A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystalline powder
Color: pale yellow to tan
Odor: None reported.
pH: 6.5 approx.
Vapor Pressure: Negligible.
Viscosity: Negligible.
Boiling Point: Decomposes
Freezing/Melting Point: 183 deg C dec
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature: > 183 deg C
Solubility in water: Slightly soluble.
Specific Gravity/Density: 1.634@ 20C
Molecular Formula: C22H24N2O9
Molecular Weight: 460.39

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. Darkens and decomposes on exposure to light.
Conditions to Avoid:
Incompatible materials, light, acids, strong oxidants.
Incompatibilities with Other Materials:
Acidic conditions, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 79-57-2: QI7875000 LD50/LC50:
CAS# 79-57-2: Oral, mouse: LD50 = 2240 mg/kg; Oral, mouse: LD50 = 5706 mg/kg; Oral, rat: LD50 = 4800 mg/kg; Oral, rat: LD50 = 5063 mg/kg.
Carcinogenicity:
Oxytetracycline - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 63 Possible risk of harm to the unborn child.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 79-57-2: No information available.
Canada
CAS# 79-57-2 is listed on Canada's DSL List.
CAS# 79-57-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 79-57-2 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:7

3.氢键受体数量:10

4.可旋转化学键数量:2

5.互变异构体数量:168

6.拓扑分子极性表面积202

7.重原子数量:33

8.表面电荷:0

9.复杂度:1000

10.同位素原子数量:0

11.确定原子立构中心数量:6

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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