碱性红 1

碱性红 1 基本信息
CAS号 989-38-8 分子式 C28H31ClN2O3
分子量 479.01000 精确质量  478.20200
PSA  63.83000 LogP  7.22550

基本信息 展开↓

CAS号:
989-38-8
分子式:
C28H31ClN2O3
分子量:
479.01000
中文名称:
碱性红 1
英文名称:
rhodamine 6G
中文别名:
碱性红 1;
罗丹明6G;
碱性红1;
玫瑰红6G;
玫瑰精6G;
9-[2-(乙氧羰基)苯基]-3,6-二(乙氨基)-2,7-二甲基氯化占吨翁
英文别名:
rhodamine 6G;
cibasicred1;
rhodamine 3B hydrochloride;
rhodamin6g;
rhodaminezh;
Rhodamine 6G;
rhodaminej;
Basic Red 1;
red169;
rh6g;
fanalpinkb;
Rhodamine 6G chloride
精确分子量/精确质量:
478.20200
极性分子表面积/PSA:
63.83000
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:
MFCD00012665
EINECS:
213-584-9
PubChem:
24855209
BRN:
3900071
InChI:
InChI=1/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/b30-24+

生产制备方法及用途展开↓

制备方法


1.3-乙氨基对甲苯酚 (p-cresol, 3-ethylamino) 和苯酐为原料,首先将两者缩合,然后再用乙醇进行酯化即得产物 2.以邻甲苯胺用氯乙烷烷基化,磺化,碱熔后与苯酐缩合,用氯乙烷酯化,经后处理得产品。

合成制备方法


1. 3-乙氨基对甲苯酚 (p-cresol, 3-ethylamino) 和苯酐为原料,首先将两者缩合,然后再用乙醇进行酯化即得产物

2.以邻甲苯胺用氯乙烷烷基化,磺化,碱熔后与苯酐缩合,用氯乙烷酯化,经后处理得产品。

用途简介


碱性红 6GDN 适用于染蚕丝以及蚕丝织物的直接印花。一般用于中性、酸性直接染料多色套印中作点缀色彩之用,不印大、中块面花型。用于染羊毛、棉纤维时,色牢度较差。可用于皮革、纸张着色,也用于制备有机颜料。与磷钨钼酸作用生成色淀用于制造高级油墨的颜料,也可用于腈纶、毛、丝的染色

用途


碱性红 6GDN 适用于染蚕丝以及蚕丝织物的直接印花。一般用于中性、酸性直接染料多色套印中作点缀色彩之用,不印大、中块面花型。用于染羊毛、棉纤维时,色牢度较差。可用于皮革、纸张着色,也用于制备有机颜料。与磷钨钼酸作用生成色淀用于制造高级油墨的颜料,也可用于腈纶、毛、丝的染色

物化性质展开↓

外观与性状:
红色至棕色粉末
密度:
1.15g/cm3
熔点:
290 °C
沸点:
<200ºC
闪点:
318.6ºC
水溶解性:
SOLUBLE
折射率:
1.593
存储条件/存储方法:

保持容器密封,储存在阴凉,干燥的地方 

稳定性相关:

常温常压下稳定,避免氧化物接触

其它信息:

1.       性状:红色或黄棕色粉末。对光敏感。

2.       密度(g/mL,25/4℃):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):290℃

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

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):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:溶于醇类呈橙红色荧光,溶于水呈猩红色显绿色荧光,在浓硫酸中呈黄色稀释变红,水溶液加入苛性钠生成红色沉淀。

安全信息展开↓

海关代码:
3204130000
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22
安全说明:
S36/37/39-S26
RTECS号:
DH0175000
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xn:Harmful;

化学图谱

  1. 罗丹明590红外图谱(IR1)

  2. 罗丹明590红外图谱(IR2)

  3. 罗丹明590质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH0175000
CHEMICAL NAME :
Benzoic acid, o-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xant hen-9-yl)-, ethyl ester, monohydrochloride
CAS REGISTRY NUMBER :
989-38-8
LAST UPDATED :
199701
DATA ITEMS CITED :
27
MOLECULAR FORMULA :
C28-H31-N2-O3.Cl
MOLECULAR WEIGHT :
479.06
WISWESSER LINE NOTATION :
T C666 BO EYJ EUN2 F1 IR BVO2& L1 MN1&1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
125 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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Cardiac - other changes Liver - other changes Blood - other hemolysis with or without anemia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6150 ug/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 :
2310 mg/kg/14D-C
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10192 mg/kg/13W-C
TOXIC EFFECTS :
Blood - changes in spleen
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
130 mg/kg/35D-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
51 gm/kg/13W-C
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7725 mg/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg/1Y-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
4 mg/kg
SEX/DURATION :
female 7-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
2 mg/kg
SEX/DURATION :
female 7-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - other effects to embryo
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
2 mg/kg
SEX/DURATION :
female 7-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) 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 :
Intraperitoneal
DOSE :
2 mg/kg
SEX/DURATION :
female 7-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - other effects to embryo Reproductive - Specific Developmental Abnormalities - musculoskeletal system

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
19900 ug/L
REFERENCE :
NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-364,1989 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 16,233,1978 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 16,233,1978 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2209 No. of Facilities: 917 (estimated) No. of Industries: 20 No. of Occupations: 21 No. of Employees: 15041 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2209 No. of Facilities: 2416 (estimated) No. of Industries: 27 No. of Occupations: 32 No. of Employees: 41538 (estimated) No. of Female Employees: 8238 (estimated)
毒理学数据:

有毒,最小致死量(小鼠,腹腔)2mg/kg.

生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

Name: Rhodamine 6g Material Safety Data Sheet
Synonym: Basic Red 1; C.I. 4516
CAS: 989-38-8
Section 1 - Chemical Product   MSDS Name:Rhodamine 6g Material Safety Data Sheet
Synonym:Basic Red 1; C.I. 4516

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
989-38-8 Rhodamine 6G ca. 100 213-584-9
Hazard Symbols: XN
Risk Phrases: 40

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Limited evidence of a carcinogenic effect.
Potential Health Effects
Eye:
May cause eye irritation. This product contains a cationic dye.
Similar dyes have caused permanent injury to the cornea and conjunctiva in documented exposure cases with human or rabbit eyes.
Skin:
May cause skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
May cause respiratory tract irritation.
Chronic:
May cause cancer according to animal studies.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid if cough or other symptoms appear.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid contact with skin and eyes. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Use only in a chemical fume hood.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 989-38-8: 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 protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C28H31ClN2O3
Molecular Weight: 479.01

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 989-38-8: DH0175000 LD50/LC50:
Not available.
Carcinogenicity:
Rhodamine 6G - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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 40 Limited evidence of a carcinogenic effect.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
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# 989-38-8: 2
Canada
CAS# 989-38-8 is listed on Canada's DSL List.
CAS# 989-38-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 989-38-8 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↓

分子结构数据


1、   摩尔折射率:130.20

2、   摩尔体积(cm3/mol):384.1

3、   等张比容(90.2K):962.1

4、   表面张力(dyne/cm):39.3

5、   极化率(10-24cm3):51.61

计算化学数据


1、   氢键供体数量:2

2、   氢键受体数量:5

3、   可旋转化学键数量:7

4、   拓扑分子极性表面积(TPSA):59.9

5、   重原子数量:34

6、   表面电荷:0

7、   复杂度:868

8、   同位素原子数量:0

9、   确定原子立构中心数量:0

10、   不确定原子立构中心数量:0

11、   确定化学键立构中心数量:0

12、   不确定化学键立构中心数量:0

13、   共价键单元数量:1

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