溴甲基环己烷

溴甲基环己烷 基本信息
CAS号 2550-36-9 分子式 C7H13Br
分子量 177.08200 精确质量  176.02000
PSA  0.00000 LogP  2.96160

基本信息 展开↓

CAS号:
2550-36-9
3D弹球模型:
立即前往扯扯看
分子式:
C7H13Br
分子量:
177.08200
中文名称:
溴甲基环己烷
英文名称:
bromomethylcyclohexane
中文别名:
溴甲基环己烷;
环己基甲基溴;
环己基溴甲烷;
(溴甲基)环己烷
英文别名:
bromomethylcyclohexane;
Cyclohexane,(bromomethyl);
Cyclohexylmethyl bromide;
Bromocyclohexylmethane;
bromomethylenecyclohexane;
1-bromo-1-cyclohexylmethane;
cyclohexyl-CH2Br;
Cyclohexylmethylbromide;
(bromomethyl)cyclohexane
精确分子量/精确质量:
176.02000
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。
贝尔斯坦号/MDL:
MFCD00001509
PubChem:
24892315
BRN:
635738
InChI:
InChI=1/C7H13Br/c8-6-7-4-2-1-3-5-7/h7H,1-6H2

生产制备方法及用途展开↓

制备方法


医药中间体。

用途简介


物化性质展开↓

外观与性状:
无色或淡黄色液体
密度:
1.269 g/mL at 25 °C(lit.)
沸点:
76-77 °C26 mm Hg(lit.)
闪点:
135 °F
折射率:
n20/D 1.492(lit.)
蒸汽压:
1.53mmHg at 25°C
存储条件/存储方法:

密封于阴凉干燥环境

稳定性相关:

如果遵照规格使用和储存则不会分解。

其它信息:

1.       性状:微黄色液体

2.       密度(g/mL,25/4): 1.269

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):76-77

6.       沸点(ºC,5.2kPa): 无可用

7.       折射率: 1.491-1.93

8.       闪点(ºC): 57

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V): 无可用

19.    溶解性:无可用

安全信息展开↓

包装等级:
III
风险类别:
3
海关代码:
2903999090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S23-S24/25-S37/39-S26
安全标志:
S23:不要吸入蒸汽。
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi:Irritant;

合成路线查看所有的合成路线

  • 100-49-2

    环己基甲醇

  • ~69%

  • 2550-36-9

    溴甲基环己烷

  • 52470-92-5

    1,1-Dibromomethylcyclohexane

  • ~21%

  • 1121-49-9

    溴亚甲基环己烷

  • +

  • 82166-21-0

    2-methyl cyclohexane

  • 65826-86-0

    (Bromoiodomethyl)cyclohexane

  • 591-49-1

    1-甲基-1-环己烯

  • +

  • 1121-49-9

    溴亚甲基环己烷

化学图谱

  1. 溴甲基环己烷红外图谱(IR1)

  2. 溴甲基环己烷质谱(MS)

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毒理性展开↓

生态数据:

 

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: Cyclohexylmethyl bromide 96% Material Safety Data Sheet
Synonym: Bromomethylcyclohexane
CAS: 2550-36-9
Section 1 - Chemical Product   MSDS Name:Cyclohexylmethyl bromide 96% Material Safety Data Sheet
Synonym:Bromomethylcyclohexane

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2550-36-9 Cyclohexylmethyl bromide 96 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

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. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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.
Notes to Physician:
Treat symptomatically and supportively.

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. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
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:
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. Use a spark-proof tool. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep away from heat, sparks and flame.
Storage:
Keep away from sources of ignition. Store in a cool, dry place.
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Flammables-area.

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# 2550-36-9: Personal Protective Equipment Eyes: Wear chemical splash goggles.
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 light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 76 - 77 deg C @ 26 mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 57 deg C ( 134.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.280
Molecular Formula: C7H13Br
Molecular Weight: 177.08

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2550-36-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Cyclohexylmethyl bromide - 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
Shipping Name: FLAMMABLE LIQUIDS, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUIDS, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUIDS, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 2550-36-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2550-36-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2550-36-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2903999090

概述:
2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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:40.09

2、   摩尔体积(m3/mol):140.7

3、   等张比容(90.2K):336.7

4、   表面张力(dyne/cm):32.8

5、   极化率10-24cm3):15.89

计算化学数据


1.疏水参数计算参考值(XlogP):3.4

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:1

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:8

8.表面电荷:0

9.复杂度:55.4

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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