1206-13-9 (1-(4-甲基苯基)-1-环己腈,1-(p-Tolyl)-1-cyclohexanecarbonitrile)

CAS号:
1206-13-9
中文名称:
1-(4-甲基苯基)-1-环己腈
英文名称:
1-(p-Tolyl)-1-cyclohexanecarbonitrile
分子式:
C14H17N
分子量:
199.291483640671

1-(4-甲基苯基)-1-环己腈(1206-13-9)名称与标识符

名称

中文别名:
1-(4-甲基苯基)-1-环己腈;1-对甲苯基环己腈;1-(4-甲苯基)-1-环己甲腈;1-(4-甲基苯基)-1-环己腈; 1-对甲苯基环己腈;
英文别名:
1-(p-Tolyl)cyclohexanecarbonitrile;1-(4-Methylphenyl)-1-cyclohexanecarbonitrile;1-(4-Methylphenyl)cyclohexanecarbonitrile;1-(P-TOLYL)-1-CYCLOHEXANECARBONITRILE;1-(4-methylphenyl)cyclohexane-1-carbonitrile;Cyclohexanecarbonitrile,1-p-tolyl- (7CI,8CI);NSC 155170;LS-02210;1-(P-tolyl)cyclohexane-1-carbonitrile;A892160;AM10610;CB8ABK6AR7;MFCD00066917;AKOS005171594;FT-0605866;NSC155170;NSC-155170;J-505110;SCHEMBL181275;1206-13-9;1-p-tolylcyclohexanecarbonitrile;CS-0442247;Cyclohexanecarbonitrile, 1-(4-methylphenyl)-;EINECS 214-888-4;DTXSID20152919;NS00023924;ALBB-006276;STK503800;DB-026909;JFUXEEYLCATFIB-UHFFFAOYSA-N;G69620;DTXCID3075410;

标识符

MDL:
MFCD00066917
InChIKey:
JFUXEEYLCATFIB-UHFFFAOYSA-N
Inchi:
1S/C14H17N/c1-12-5-7-13(8-6-12)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
SMILES:
N#CC1(C2C=CC(C)=CC=2)CCCCC1

1-(4-甲基苯基)-1-环己腈(1206-13-9)物化性质

实验特性

  • LogP : 3.72048
  • PSA : 23.79000
  • 折射率 : 1.5302-1.5322
  • 沸点 : 326.83°C (rough estimate)
  • 闪点 : 128.1 °C
  • 颜色与性状 : 黄色或无色透明液体
  • 溶解性 : 未确定
  • 密度 : 1.00

计算特性

  • 精确分子量 : 199.13600
  • 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 : 199.136
  • 重原子数量 : 15
  • 复杂度 : 246
  • 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) : 3.9
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 23.8A^2

1-(4-甲基苯基)-1-环己腈(1206-13-9)国际标准相关数据

EINECS:
214-888-4

1-(4-甲基苯基)-1-环己腈(1206-13-9)上下游

1-(4-甲基苯基)-1-环己腈(1206-13-9) MSDS

基础信息

Name:1-(4-Methylphenyl)-1-cyclohexanecarbonitrile 97% Material Safety Data Sheet
Synonym:1-(4-Methylphenyl)cyclohexanecarbonitril
CAS:1206-13-9
Section 1 - Chemical Product ? MSDS Name:1-(4-Methylphenyl)-1-cyclohexanecarbonitrile 97% Material Safety Data Sheet
Synonym:1-(4-Methylphenyl)cyclohexanecarbonitril

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
1206-13-91-(4-Methylphenyl)-1-cyclohexanecarbon97214-888-4
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and 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.
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: 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:

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.
Extinguishing Media:
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. 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. Avoid ingestion and inhalation.
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# 1206-13-9: 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: Clear liquid
Color: clear, colorless
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: Not available.
Solubility in water: Not available.
Specific Gravity/Density: 1.0060g/cm3
Molecular Formula: C14H17N
Molecular Weight: 199.29

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 1206-13-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Methylphenyl)-1-cyclohexanecarbonitrile - 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: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 1206-13-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1206-13-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1206-13-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A