1-苯基环丙基甲腈

1-苯基环丙基甲腈 基本信息
CAS号 935-44-4 分子式 C10H9N
分子量 143.18500 精确质量  143.07300
PSA  23.79000 LogP  2.24178

基本信息 展开↓

CAS号:
935-44-4
3D弹球模型:
立即前往扯扯看
分子式:
C10H9N
分子量:
143.18500
中文名称:
1-苯基环丙基甲腈
英文名称:
1-Phenylcyclopropanecarbonitrile
中文别名:
1-苯基环丙基甲腈;
1-苯基-1-环丙基甲腈;
1-苯基-1-环丙烷腈
英文别名:
1-Phenylcyclopropanecarbonitrile;
1-phenylcyclopropane-1-carbonitrile
精确分子量/精确质量:
143.07300
极性分子表面积/PSA:
23.79000
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:
213-304-5
InChI:
The Key: ZHFURHRJUWYDKG-UHFFFAOYSA-N

物化性质展开↓

密度:
1.09g/cm3
沸点:
238.5ºC at 760mmHg
闪点:
99ºC
折射率:
n20/D 1.539(lit.)
稳定性相关:

常温常压下稳定,避免氧化物 强还原剂 强酸 强碱接触

其它信息:

1.      性状:未确定

2.      密度(g/mL,25/4):1 g/mL

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, 30 mm Hg):133-137 °C

7.      折射率:n20/D 1.539

8.      闪点(ºC):>230 °F

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

安全信息展开↓

海关代码:
2926909090
危险类别码:
R20/21/22
安全说明:
36
安全标志:
S36:穿戴合适的防护服装。
危险标志:
Xn: Harmful;

合成路线查看所有的合成路线

  • 557-91-5

    1,1-二溴乙烷

  • +

  • 140-29-4

    氰化苄

  • ~99%

  • 935-44-4

    1-苯基环丙基甲腈

  • 52370-86-2

    52370-86-2

  • ~93%

  • 935-44-4

    1-苯基环丙基甲腈

  • 140-29-4

    氰化苄

  • +

  • 107-04-0

    1-溴-2-氯乙烷

  • ~90%

  • 935-44-4

    1-苯基环丙基甲腈

化学图谱

  1. 1-苯基-1-环丙烷腈红外图谱(IR1)

  2. 1-苯基-1-环丙烷腈质谱(MS)

上一页 1/4 下一页

MSDS 展开↓

Name: 1-Phenyl-1-cyclopropanecarbonitrile 97% Material Safety Data Sheet
Synonym: 1-Phenylcyclopropanecarbonitril
CAS: 935-44-4
Section 1 - Chemical Product   MSDS Name:1-Phenyl-1-cyclopropanecarbonitrile 97% Material Safety Data Sheet
Synonym:1-Phenylcyclopropanecarbonitril

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
935-44-4 1-Phenyl-1-cyclopropanecarbonitrile 97 213-304-5
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.Harmful.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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. May be harmful if inhaled.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. 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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant 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. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. 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:
Keep containers tightly closed. Store in a cool, dry 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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 935-44-4: 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 and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Clear liquid
Color: very slightly yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 133.0 - 137.0 deg C @ 30.00mm
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: 1.0000g/cm3
Molecular Formula: C10H9N
Molecular Weight: 143.19

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong reducing agents, strong acids, strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 935-44-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Phenyl-1-cyclopropanecarbonitrile - 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: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

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# 935-44-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 935-44-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 935-44-4 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: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
摘要/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%

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:43.17

2、   摩尔体积(m3/mol):131.2

3、   等张比容(90.2K):340.0

4、   表面张力(dyne/cm):45.0

5、   极化率10-24cm3):17.11

计算化学数据


1.疏水参数计算参考值(XlogP):1.9

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:188

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

上下游相关产品

上游产品

更多
  • 140-29-4

    氰化苄

  • 106-93-4

    二溴乙烷

  • 557-91-5

    1,1-二溴乙烷

  • 107-04-0

    1-溴-2-氯乙烷

  • 52370-86-2

    N/A

下游产品

更多
  • 41049-53-0

    1-苯基环丙胺

  • 637-50-3

    1-丙烯基苯

  • 873-49-4

    环丙基苯

  • 6120-95-2

    1-苯基-1-环丙羧酸

  • 1007-71-2

    1-(1-苯基环丙基)乙酮

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便