1,9-二氯壬烷

1,9-二氯壬烷 基本信息
CAS号 821-99-8 分子式 C9H18Cl2
分子量 197.14500 精确质量  196.07900
PSA  0.00000 LogP  4.19470

基本信息 展开↓

CAS号:
821-99-8
3D弹球模型:
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分子式:
C9H18Cl2
分子量:
197.14500
中文名称:
1,9-二氯壬烷
英文名称:
1,9-Dichlorononane
中文别名:
1,9-二氯壬烷;
1-十一烯;
METHYL-N-HEPTYL KETONE;
METHYL HEPTYL KETONE;
FEMA 2785;
HEPTYL METHYL KETONE;
P-[3-(3-METHYLHEPTYL)]ETHYLBENZENE;
NONANONE, 2-;
nonan-2-one;
2-Nonanone;
Bis(2-chlorolethyl)amine hydrochloride;
Bis(2-chloroethyl)amine hydrochloride;
trans-1,4-dibromo-2-butene;
Pentanoic acid, 4-methyl-2-oxo-;
2-methyl-5-oxopentanoic acid;
4-methyl-2-oxovaleric acid;
diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate;
O,O-Dimethyl hydrogen dithiophosphate;
O,O-dimethyl hydrogen phosphorodithioate;
copper(2+) bis(O,O-dimethyl phosphorodithioate);
Dimethylphosphorodithioate;
O,O-Dimethyl Dithiophosphate;
h-MG;
Sulfide, 2-chloroethyl ethyl (8CI);
1-chloro-2-(ethylsulfanyl)ethane;
2-chloro ethyl ethyl sulfide;
2-chloroethyl ethyl sulphide
英文别名:
1,9-Dichlorononane;
1,9-dichlorononane
精确分子量/精确质量:
196.07900
极性分子表面积/PSA:
0.00000
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。
EINECS:
212-484-2
InChI:
InChI=1/C9H18Cl2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2

物化性质展开↓

外观与性状:
透明无色液体像氯一样的气味
密度:
1.091 g/mL at 25ºC(lit.)
沸点:
260ºC at 760 mmHg
闪点:
98ºC
折射率:
n20/D 1.4599(lit.)
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房

稳定性相关:

常温常压下稳定,避免与不相容材料接触。
其它信息:

1.      性状:黄色透明液体

2.      密度(g/mL,25℃):1.091

3.      相对密度(25℃,4℃):1.0173

4.      熔点(ºC):0

5.      沸点(ºC,常压):260

6.      常温折射率(n25):1.4586

7.      折射率(n20/D):1.4599

8.      闪点(ºC):>112

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(mmHg,25ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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:未确定

安全信息展开↓

危险类别码:
R36/37/38
安全说明:
26-37/39
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:
Xi: Irritant;

合成路线查看所有的合成路线

  • 3937-56-2

    1,9-壬二醇

  • ~98%

  • 821-99-8

    1,9-二氯壬烷

  • 22543-29-9

    diethyl undecanedioate

  • 821-99-8

    1,9-二氯壬烷

  • 1852-04-6

    十一烷二酸

  • 821-99-8

    1,9-二氯壬烷

MSDS 展开↓

Name: 1 9-Dichlorononane 99% Material Safety Data Sheet
Synonym: None
CAS: 821-99-8
Section 1 - Chemical Product   MSDS Name:1 9-Dichlorononane 99% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
821-99-8 1,9-Dichlorononane 99 212-484-2
Hazard Symbols: XI
Risk Phrases: 36/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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.
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. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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.
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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. 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# 821-99-8: Belgium - TWA: (listed as nonane): 200 ppm VLE; 1065 mg/m3 VLE France - VME: (listed as nonane): 200 ppm VME; 1050 mg/m3 VME Germany: (listed as nonane): 200 ppm VME; 1050 mg/m3 VME Japan: (listed as nonane): 200 ppm OEL; 1050 mg/m3 OEL Malaysia: (listed as nonane): 200 ppm TWA; 1050 mg/m3 TWA Netherlands: (listed as nonane): 200 ppm MAC; 1050 mg/m3 MAC Spain: (listed as nonane): 200 ppm VLA-ED; 1065 mg/m3 VLA-ED 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: Liquid
Color: clear, colorless
Odor: chlorine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 258-262 deg C @ 760.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0910g/cm3
Molecular Formula: C9H18Cl2
Molecular Weight: 197.15

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong bases, strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 821-99-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,9-Dichlorononane - Not listed by ACGIH, IARC, or NTP.

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: XI
Risk Phrases:
R 36/38 Irritating to eyes and skin.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable 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# 821-99-8: No information available.
Canada
CAS# 821-99-8 is listed on Canada's NDSL List.
CAS# 821-99-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 821-99-8 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↓

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:0

3.氢键受体数量:0

4.可旋转化学键数量:8

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:11

8.表面电荷:0

9.复杂度:56.6

10.同位素原子数量:0

11.确定原子立构中心数量:0

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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