2201-23-2 (1-苯基-1-环己基甲腈,1-Phenyl-1-cyclohexanecarbonitrile)

CAS号:
2201-23-2
中文名称:
1-苯基-1-环己基甲腈
英文名称:
1-Phenyl-1-cyclohexanecarbonitrile
安全信息:
分子式:
C13H15N
分子量:
185.264903306961

1-苯基-1-环己基甲腈(2201-23-2)名称与标识符

名称

中文别名:
1-苯基-1-环己基甲腈;1-苯基环己腈;1-Phenylcyclohexanecarbonitrile 1-苯基环己腈;1-苯基-1-环己腈;1-苯基-1-环己烷甲腈;
英文别名:
1-Phenylcyclohexanecarbonitrile;1-Phenylcyclohexane-1-carbonitrile;1-Phenyl-1-cyclohexanecarbonitrile;1-cyano-1-phenylcyclohexane;1-Phenyl-cyclohexancarbonitril;1-phenyl-cyclohexanecarbonitrile;Cyclohexanecarbonitrile,1-phenyl;NSC106872;EINECS 218-608-1;FT-0607660;NSC 106872;V10155;AKOS000269784;1-phenyl-1-cyclohexane-carbonitrile;NS00027023;cyanophenylcyclohexane;MFCD00021281;SCHEMBL181145;Cyclohexanecarbonitrile, 1-phenyl-;UNII-A7PJG8E4XS;P2253;AM20030366;CS-0207495;AUXIEQKHXAYAHG-UHFFFAOYSA-N;CAA20123;DS-18285;NSC-106872;A7PJG8E4XS;2201-23-2;1-Phenylcyclohexane carbonitrile;BB 0219778;DTXSID70176448;DTXCID9098939;DB-013033;

标识符

MDL:
MFCD00021281
InChIKey:
AUXIEQKHXAYAHG-UHFFFAOYSA-N
Inchi:
1S/C13H15N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2
SMILES:
N#CC1(C2C=CC=CC=2)CCCCC1

1-苯基-1-环己基甲腈(2201-23-2)物化性质

实验特性

  • LogP : 3.41208
  • PSA : 23.79000
  • 折射率 : 1.5332-1.5352
  • 沸点 : 141°C/7mmHg(lit.)
  • 颜色与性状 : 无色或浅棕色透明液体
  • 溶解性 : 未确定
  • 密度 : 1.01

计算特性

  • 精确分子量 : 185.12000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 1
  • 同位素质量 : 185.120449483g/mol
  • 重原子数量 : 14
  • 复杂度 : 223
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.5
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 23.8Ų

1-苯基-1-环己基甲腈(2201-23-2)国际标准相关数据

EINECS:
218-608-1

1-苯基-1-环己基甲腈(2201-23-2)海关数据

海关编码:
2926909090
海关数据:

中国海关编码:

2926909090

概述:

2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

1-苯基-1-环己基甲腈(2201-23-2)推荐厂家 更多厂家(16)

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1-苯基-1-环己基甲腈(2201-23-2)参考资料

Reaxys RN:
1872967
Beilstein:
P160683
PubChem CID:

1-苯基-1-环己基甲腈(2201-23-2) MSDS

基础信息

Name:1-Phenyl-1-cyclohexanecarbonitrile 97% Material Safety Data Sheet
Synonym:None
CAS:2201-23-2
Section 1 - Chemical Product ? MSDS Name:1-Phenyl-1-cyclohexanecarbonitrile 97% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
2201-23-21-Phenyl-1-cyclohexanecarbonitrile97.0218-608-1
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
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 immediately.
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:
Antidote: None reported.

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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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# 2201-23-2: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Liquid
Color: clear
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0170g/cm3
Molecular Formula: C13H15N
Molecular Weight: 185.27

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:
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# 2201-23-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Phenyl-1-cyclohexanecarbonitrile - Not listed by ACGIH, IARC, or NTP.

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 22 Harmful if swallowed.
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# 2201-23-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2201-23-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2201-23-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A