三氰基甲烷化钾

三氰基甲烷化钾 基本信息
CAS号 34171-69-2 分子式 C4KN3
分子量 129.16100 精确质量  128.97300
PSA  71.37000 LogP  0.26514

基本信息 展开↓

CAS号:
34171-69-2
3D弹球模型:
立即前往扯扯看
分子式:
C4KN3
分子量:
129.16100
中文名称:
三氰基甲烷化钾
英文名称:
potassium,methanetricarbonitrile
中文别名:
三氰基甲烷化钾;
三氰基甲基钾
英文别名:
potassium,methanetricarbonitrile;
Tricyanomethanate potassium salt;
Potassium Methanetricarbonitrile;
potassium tricyanomethylide;
potassium tricyanmethanide;
potassium ion tricyanomethanide;
Kalium-tricyanmethan;
potassium tricyanomethanate;
Potassium cyanoform;
methanetricarbonitrile potassium salt;
POTASSIUM TRICYANOMETHANIDE
精确分子量/精确质量:
128.97300
极性分子表面积/PSA:
71.37000
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:
MFCD00058850
InChI:
InChI=1/C4N3.K/c5-1-4(2-6)3-7;/q-1;+1

物化性质展开↓

沸点:
178.9ºC at 760mmHg
闪点:
62ºC
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

避免氧化物

其它信息:

1.        性状:白色晶体

2.         密度(g/mL,20):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,KPa):未确定

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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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:可溶于水

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:
23/24/25
安全说明:
26-36/37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:

合成路线查看所有的合成路线

  • 110-71-4

    乙二醇二甲醚

  • 34171-69-2

    三氰基甲烷化钾

毒理性展开↓

生态数据:

通常对水是稍微有危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Potassium tricyanomethanide, min. 98%    
   CAS Registry Number:       34171-69-2    
   Formula:       KC(CN)3    
   EINECS Number:       none    
   Chemical Family:       metal cyano complex    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       34171-69-2       100%       no data       5mg/m3 (as CN - skin)    

Section 3: Hazards Identification
   Emergency Overview:       Toxic material by ingestion, inhalation and skin absorption.    
   Primary Routes of Exposure:       Ingestion, inhalation, skin, eyes    
   Eye Contact:       May cause moderate to severe irritation of the eyes    
   Skin Contact:       May cause slight to mild irritation of the skin, Skin adsorption may result in toxic effects.    
   May be irritating to the nose, mucous membranes and respiratory tract. Decomposition products may include
   Inhalation:
   toxic hydrogen cyanide gas.
   Toxic if swallowed. High doses may cause vomiting, bloody diarrhea, twitching of facial muscles, convulsions,
   Ingestion:
   cyanosis, coma and death.
   Toxic by inhalation, in contact with skin and if swallowed. Cyanides may cause headache, dizziness, vomiting,
   Acute Health Affects:
   weak and irregular heart beat, unconsciousness, convulsions, coma and death.
   Chronic Health Affects:       No information available on long-term chronic effects.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area immediately with water. Remove contaminated clothing if necessary. Seek medical
   Skin Exposure:
   assistance if irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       not applicable    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, foam or dry powder    
   If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self- contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit irritating fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   To avoid raising dust, small spills may be mixed with diatomaceous earth, sand, vermiculite or other suitable
   Spill and Leak Procedures:
   inert material and swept up.

SECTION 7: Handling and Storage
   Handling and Storage:       Handle and store the material under a dry inert atmosphere of nitrogen or argon.    

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.    
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       off-white to beige powder    
   Molecular Weight:       129.16    
   Melting Point:       none    
   Boiling Point:       no data    
   Vapor Pressure:       not applicable    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       soluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents and halogens    
   Decomposition Products:       carbon dioxide, carbon monoxide, nitrogen oxide, cyanides and potassium salts.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       no data    
   Mutagenic Effects:       no data    
   Tetratogenic Effects:       no data    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Toxic solids, organic, N.O.S.    
   Hazard Class (CFR):       6.1    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       II    
   UN ID Number (CFR):       UN# 2811    
   Shipping Name (IATA):       Toxic solid, organic, N.O.S.    
   Hazard Class (IATA):       6.1    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       II    
   UN ID Number (IATA):       UN# 2811    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       None    


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):无

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:0

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:8

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:2

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