3-环己基丙基氯

3-环己基丙基氯 基本信息
CAS号 1124-62-5 分子式 C9H17Cl
分子量 160.68400 精确质量  160.10200
PSA  0.00000 LogP  3.58570

基本信息 展开↓

CAS号:
1124-62-5
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分子式:
C9H17Cl
分子量:
160.68400
中文名称:
3-环己基丙基氯
英文名称:
3-chloropropylcyclohexane
中文别名:
3-环己基丙基氯;
3-chloropropylcyclohexane
英文别名:
3-chloropropylcyclohexane;
1-Chloro-3-cyclohexylpropane;
EINECS 214-399-6;
3-cyclohexyl-1-chloropropane;
3-cyclohexylpropyl chloride
精确分子量/精确质量:
160.10200
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:
214-399-6
InChI:
The Key: QEISABAAOUXQNG-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
透明无色至略黄色液体
密度:
0.934 g/cm3
沸点:
219.2ºC at 760 mmHg
闪点:
78.9ºC
折射率:
1.453
蒸汽压:
0.178mmHg at 25°C

安全信息展开↓

海关代码:
2903890090

合成路线查看所有的合成路线

  • 110-82-7

    环己烷

  • +

  • 107-05-1

    3-氯丙烯

  • 1124-62-5

    3-环己基丙基氯

  • 632-02-0

    4-甲基苯磺酰基-3-氯-1-丙醇

  • +

  • 931-50-0

    环己基溴化镁

  • 1124-62-5

    3-环己基丙基氯

MSDS 展开↓

Name: 3-Cyclohexylpropylchloride 99+% Material Safety Data Sheet
Synonym: None known
CAS: 1124-62-5
Section 1 - Chemical Product   MSDS Name:3-Cyclohexylpropylchloride 99+% Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1124-62-5 3-Cyclohexylpropylchloride 99+ 214-399-6
Hazard Symbols: XI
Risk Phrases: 36/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin irritation. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
Effects may be delayed.

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.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Flammable liquid and vapor. Combustible liquid. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective.

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. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame.
Avoid ingestion and inhalation. Wash clothing before reuse. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. 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# 1124-62-5: 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: 2.77 MPA 20.00 deg
Boiling Point: 214.7 deg C
Freezing/Melting Point: -59 deg C
Autoignition Temperature: 220 deg C ( 428.00 deg F)
Flash Point: 90 deg C ( 194.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: < 0.01 g/l (20c)
Specific Gravity/Density: .9570g/cm3
Molecular Formula: C9H17Cl
Molecular Weight: 160.59

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
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# 1124-62-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Cyclohexylpropylchloride - 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 LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, 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 36/38 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# 1124-62-5: 2
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1124-62-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1124-62-5 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:2903890090

概述:
2903890090. 其他环烷烃、环烯烃或环萜烯烃的卤化衍生物. 增值税率:17.0%. 退税率:13.0%. 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:
2903890090. halogenated derivatives of cyclanic, cyclenic or cyclotherpenic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . 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:46.47

2、  摩尔体积(cm3/mol):171.9

3、  等张比容(90.2K):402.5

4、  表面张力(dyne/cm):30.0

5、  极化率(10-24cm3):18.42

计算化学数据


1.疏水参数计算参考值(XlogP):4.3

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:3

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:10

8.表面电荷:0

9.复杂度:74.8

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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