上海化源世纪贸易有限公司
上海市上海市普陀区
产品名：4-异丙基苯甲腈
纯度：98.0%
规格：
联系人：徐经理
联系电话：13311869306

上海阿拉丁生化科技股份有限公司
上海市上海市浦东新区
产品名：4-异丙基苄腈
纯度：95.0%
规格：5g/1g/1g/1g
联系人：阿拉丁
联系电话：400-620-6333

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13816-33-6生产厂家

13816-33-6价格

13816-33-6

13816-33-6结构式

常用中文名：4-异丙基苯甲腈
常用英文名：cuminyl nitrile
CAS号：13816-33-6
分子式：C₁₀H₁₁N
分子量：145.20100
相关类别：香精与香料合成香料含卤、含硫、含氮化合物含氮化合物
发布时间：2018-09-05 12:21:02
更新时间：2024-01-07 17:13:31

化源商城直购

中文名	4-异丙基苯甲腈
英文名	4-Isopropylbenzonitrile
中文别名	枯茗腈 4-异丙基苯甲酰腈
英文别名	MFCD00052966 4-ISOPROPYLBENZONITRILE 4-propan-2-ylbenzonitrile EINECS 237-492-3

密度	0.96 g/cm3
沸点	88-90ºC (5 torr)
熔点	51.5°C (estimate)
分子式	C₁₀H₁₁N
分子量	145.20100
闪点	93.6ºC
精确质量	145.08900
PSA	23.79000
LogP	2.68168
外观性状	无色液体
蒸汽压	0.0623mmHg at 25°C
折射率	1.518
储存条件	常温密闭，阴凉通风干燥
稳定性	常温常压下稳定避免的物料氧化物
分子结构	1、摩尔折射率：45.18 2、摩尔体积（m³/mol）：149.8 3、等张比容（90.2K）：369.3 4、表面张力（dyne/cm）：36.9 5、极化率（10^-24cm³）：17.91
计算化学	1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:0 3.氢键受体数量:1 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23.8 7.重原子数量:11 8.表面电荷:0 9.复杂度:155 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
更多	1. 性状：液体 2. 密度（g/mL,25/4℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：未确定 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,5.2kPa）：88-90 7. 折射率：未确定 8. 闪点（ºC）：未确定 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（kPa,25ºC）：未确定 12. 饱和蒸气压（kPa,60ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（KPa）：未确定 16. 油水（辛醇/水）分配系数的对数值：未确定 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：未确定

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

毒理学数据:

1 、急性毒性：大鼠口经LD50：3900mg/kg；小鼠皮经LD50：＞5mg/kg；缓慢地刺激小鼠皮肤：500mg/24H。主要的刺激性影响：在皮肤上面：刺激皮肤和粘膜；在眼睛上面：刺激的影响；没有已知的敏化影响。

生态学数据:

通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI4650000

CHEMICAL NAME :: Benzonitrile, p-isopropyl-

CAS REGISTRY NUMBER :: 13816-33-6

BEILSTEIN REFERENCE NO. :: 1932883

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C10-H11-N

MOLECULAR WEIGHT :: 145.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,837,1983 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3900 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,837,1983

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,837,1983

危害码 (欧洲)	Xi:Irritant;
风险声明 (欧洲)	R36/37/38
安全声明 (欧洲)	S26-S37/39
RTECS号	DI4650000
海关编码	2926909090

上游产品 10
122-03-2 3717-17-7 536-60-7 58324-82-6
99-87-6 623-03-0 77047-87-1 61946-90-5
5458-26-4 536-66-3
下游产品 6
4395-73-7 53515-20-1 19956-03-7 77802-22-3
888028-33-9 619-76-1

海关编码	2926909090
中文概述	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%

13816-33-6	862088-21-9
4132-48-3	4395-73-7
13372-80-0	536-60-7
34906-84-8	619-76-1
5351-24-6	536-66-3
1158522-08-7	940364-43-2
134104-43-1	131615-57-1
1996832-10-0	6906-52-1
930439-75-1	1018584-77-4
1375289-11-4	849349-65-1