三(2-氰乙基)膦

三(2-氰乙基)膦 基本信息
CAS号 4023-53-4 分子式 C9H12N3P
分子量 193.18500 精确质量 　193.07700
PSA 　84.96000 LogP 　2.20934
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
4023-53-4
3D弹球模型：
立即前往扯扯看
分子式：
C9H12N3P
分子量：
193.18500
中文名称：
三(2-氰乙基)膦
英文名称：
TRIS(2-CYANOETHYL)PHOSPHINE
中文别名：
三(2-氰乙基)膦;
Cyclopropyl Carbonyl Chloride;
Cyclopropanecarboxylic acid chloride;
Zanamivir Intermediates;
1H-Pyrazole-1-carboxamidine hydrochloride;
1H-pyrazole-1-carboxamide hydrochloride (1:1);
1H-Pyrazole-1-carboximidamide hydrochloride;
1H-pyrazole-1-carboxamidine monohydro-chloride;
3-methylpicoline acid;
3-Methyl-2-picolinic acid;
(甲氧基甲基)三苯基氯化鏻;
thiophosphoryl chloride;
Propyne ethoxylate;
2-(prop-2-yn-1-yloxy)ethanol;
2-(2-propynyloxy)Ethanol;
HEDP•
Na4;
(1-Hydroxyethylidene)bis-phosphonic acid tetrasodium salt;
MJF 9325;
N-(2-Chloroethyl)-N'-(2-chloroethyl)-N',O-propylenephosphoric acid diamide;
N-(2-Chloroethyl)-N'-(2-chloroethyl)-N',O-propylene phosphoric acid ester diamide;
Naxamide;
Z4942;
N,3-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide;
Ifosfamide;
D(+)-alpha-Methylbenzylamine;
Propionylerythromycin lauryl sulfate;
Prospiocine;
Roxomicina;
Stellamicina;
Sulfuric acid, monododecyl ester, compd. with erythromycin 2'-propionate (1:1);
UNII-XRJ2P631HP;
Erythromycin, 2'-propanoate, dodecyl sulfate (sal
英文别名：
TRIS(2-CYANOETHYL)PHOSPHINE;
AURORA KA-1114;
3,3',3''-Phosphinetriyltripropanenitrile;
Tris-(2-cyanoethyl)phophine;
Tris(2-cyanoethyl)phosphine
精确分子量/精确质量：
193.07700
极性分子表面积/PSA：
84.96000
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。
贝尔斯坦号/MDL：
MFCD00013828
EINECS：
223-687-0
InChI：
InChI=1/C9H12N3P/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2

物化性质展开↓

外观与性状：
白色结晶
熔点：
97-98°C
沸点：
235°C 0,9mm
闪点：
235°C/0.9mm
蒸汽压：
1.71E-07mmHg at 25°C
存储条件/存储方法：

避光，通风干燥处，密封保存

稳定性相关：

常温常压下稳定

安全信息展开↓

包装等级：
II
风险类别：
6.1
海关代码：
2926909090
危险类别码：
R20/21/22
安全说明：
S36/37/39-S45
安全标志：
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:
危险标志：
Xi

合成路线查看所有的合成路线

  • 107-13-1

    丙烯腈

  • →

    ~44%

  • 4023-49-8

    3-(2-cyanoethylphosphanyl)propanenitrile

  • +

  • 4023-53-4

    三(2-氰乙基)膦

  • 107-13-1

    丙烯腈

  • +

  • 75-05-8

    乙腈

  • →

  • 4023-49-8

    3-(2-cyanoethylphosphanyl)propanenitrile

  • +

  • 4023-53-4

    三(2-氰乙基)膦

  • 107-13-1

    丙烯腈

  • →

  • 4023-49-8

    3-(2-cyanoethylphosphanyl)propanenitrile

  • +

  • 4023-53-4

    三(2-氰乙基)膦

毒理性展开↓

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境.

MSDS 展开↓

Name: TRIS-(2-CYANOETHYL)PHOSPHINE Material Safety Data Sheet
Synonym:
CAS: 4023-53-4
Section 1 - Chemical Product   MSDS Name:TRIS-(2-CYANOETHYL)PHOSPHINE Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4023-53-4 TRIS-(2-CYANOETHYL)PHOSPHINE 223-687-0
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.
Section 4 - FIRST AID MEASURES
  Eyes: Not available.
Skin:
Not available.
Ingestion:
Not available.
Inhalation:
Not available.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
Not available.
Extinguishing Media:
Not available.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Not available.
Section 7 - HANDLING and STORAGE
  Handling:
Not available.
Storage:
Not available.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Exposure Limits CAS# 4023-53-4: Personal Protective Equipment Eyes: Not available.
Skin:
Not available.
Clothing:
Not available.
Respirators:
Not available.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Not available.
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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:
Molecular Weight:
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Not available.
Hazardous Polymerization: Not available.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 4023-53-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
TRIS-(2-CYANOETHYL)PHOSPHINE - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 4023-53-4: No information available.
Canada
CAS# 4023-53-4 is listed on Canada's NDSL List.
CAS# 4023-53-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4023-53-4 is listed on the TSCA inventory.

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↓

计算化学数据

1.疏水参数计算参考值（XlogP）:-1

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积71.4

7.重原子数量:13

8.表面电荷:0

9.复杂度:223

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

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