13816-33-6 (4-异丙基苯甲腈,4-(propan-2-yl)benzonitrile)

快速询单

结构式：

4-异丙基苯甲腈MOL文件

CAS号：

13816-33-6

中文名称：

4-异丙基苯甲腈

英文名称：

4-(propan-2-yl)benzonitrile

分子式：

C₁₀H₁₁N

分子量：

145.201042413712

4-异丙基苯甲腈(13816-33-6)名称与标识符

名称

中文别名：

4-异丙基苯甲腈;4-异丙基苄腈;4-异丙基苯甲酰腈;枯茗腈;4-异丙基苯腈;4-异丙基苯甲腈,99%;

英文别名：

4-Isopropylbenzonitrile;4-Cyanocumene;3-isopropylbenzonitrile;4-propan-2-ylbenzonitrile;Cuminic nitrile;Cuminonitrile;p-isopropyl-benzonitril;4-(1-methylethyl)benzonitrile;4-(1-methylethyl)-benzonitril;cuminyl nitrile;p-cyanocumene;SPICENYL;CUMIN NITRILE;4-Isopropylbenzonitril;Cuminicnitrile;4-(propan-2-yl)benzonitrile;

标识符

MDL：

MFCD00052966

InChIKey：

YFDJCWXBKWRDPW-UHFFFAOYSA-N

Inchi：

1S/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3

SMILES：

CC(C1C=CC(C#N)=CC=1)C

BRN：

1932883

4-异丙基苯甲腈(13816-33-6)物化性质

实验特性

LogP : 2.68168
PSA : 23.79000
折射率 : 1.5180
沸点 : 88-90°C 5mm
熔点 : 51.5°C (estimate)
闪点 : 88-90°C/5mm
颜色与性状 : 液体
溶解性 : 未确定
密度 : 1.0641 (estimate)

计算特性

精确分子量 : 145.08900
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 : 145.089
重原子数量 : 11
复杂度 : 155
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） : 无
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

4-异丙基苯甲腈(13816-33-6)安全信息

RTECS号： DI4650000
安全术语： S26;S37/39
安全说明： S26-S37/39
风险术语： R36/37/38
危险品标志： Xi
危害声明：Irritant
危险类别码： 36/37/38-43
TSCA： Yes
HazardClass： IRRITANT

4-异丙基苯甲腈(13816-33-6)国际标准相关数据

EINECS：

237-492-3

4-异丙基苯甲腈(13816-33-6)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%

4-异丙基苯甲腈(13816-33-6)推荐厂家更多厂家(38)

公司名称	手机号/电话	联系人	QQ	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
郑州阿尔法化工有限公司	15324716602 0371-55013243	刘经理	2853979810	询单
湖北信康医药化工有限公司	13476235517 13476235517	杨彩云	1438280055	询单
湖北拓邦化工有限公司	15102763473 027-59106185	涂梦婷	1400868822/1248089955	询单
天门恒昌化工有限公司	15102714773 027-59322316	雷经理	1178380033	询单
湖北实顺生物科技有限公司	15107128801 027-59223025	郑雨晗	1400818899	询单
湖北齐飞医药化工有限公司	18702762251 027-59322506	刘经理：18702762251	1438980033	询单
湖北巨胜科技有限公司	18871490354	王珊	1400848866	询单
湖北摆渡化学有限公司	18871490324 027-59106051	彭星	1400878899	询单
湖北达豪化工有限公司	13986246535	刘紫莹	1400878822	询单

4-异丙基苯甲腈(13816-33-6) MSDS

基础信息

Name:	4-Isopropylbenzonitrile 95+% Material Safety Data Sheet
Synonym:
CAS:	13816-33-6

Section 1 - Chemical Product ? MSDS Name:4-Isopropylbenzonitrile 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
13816-33-6	4-Isopropylbenzonitrile	95+%	237-492-3

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:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. 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:

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.
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.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 13816-33-6: Personal Protective Equipment Eyes: Not available.
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: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 88 - 90 deg C @5mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H11N
Molecular Weight: 145

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Acids, bases, oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 13816-33-6: DI4650000 LD50/LC50:
CAS# 13816-33-6: Draize test, rabbit, skin: 500 mg/24H Moderate; Oral, rat: LD50 = 3900 mg/kg; Skin, rabbit: LD50 = >5 gm/kg.
Carcinogenicity:
4-Isopropylbenzonitrile - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 13816-33-6: No information available.
Canada
CAS# 13816-33-6 is listed on Canada's DSL List.
CAS# 13816-33-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13816-33-6 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A