2-(三氟甲基)丙烯

2-(三氟甲基)丙烯 基本信息
CAS号 374-00-5 分子式 C4H5F3
分子量 110.07800 精确质量  110.03400
PSA  0.00000 LogP  2.12480

基本信息 展开↓

CAS号:
374-00-5
3D弹球模型:
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分子式:
C4H5F3
分子量:
110.07800
中文名称:
2-(三氟甲基)丙烯
英文名称:
3,3,3-trifluoro-2-methylprop-1-ene
中文别名:
2-(三氟甲基)丙烯;
3,3,3-Trifluoro-2-methyl-1-propene 3,3,3-Trifluoro-2-methylpropene Ch3c(cf3)=ch2 Propene, 3,3,3-Trifluoro-2-methyl- 2-(Trifluoromethyl)propene 2-Trifluoromethylpropene,min.97% 2-(Trifluoromethyl)propene 97% 2-(Trifluoromethyl)propene97%
英文别名:
3,3,3-trifluoro-2-methylprop-1-ene;
Propene,3,3,3-trifluoro-2-methyl;
3,3,3-Trifluor-2-methyl-propen;
3,3,3-trifluoro-2-methylpropene;
sNpLAHJPtadTaeTp@;
1-Propene,3,3,3-trifluoro-2-methyl;
2-(Trifluoromethyl)propene;
2-methyl-3,3,3-trifluoropropene
精确分子量/精确质量:
110.03400
极性分子表面积/PSA:
0.00000
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:
MFCD00042093
InChI:
The Key: VJOAJCOCCYFXPR-UHFFFAOYSA-N

物化性质展开↓

密度:
1.039g/cm3
其它信息:

1.      性状:未确定

2.      密度(g/mL,25):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):6

6.      沸点(ºC,20mmHg):未确定

7.      折射率(n20/D):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(mPa,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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↓

风险类别:
2.2
海关代码:
2903399090
危险类别码:
12
安全说明:
9-16-33
安全标志:
S9:保持容器在一个有良好通风放的场所。
S16:远离火源。
S33:采取防护措施防止静电发生。
危险标志:
F: Flammable;

合成路线查看所有的合成路线

  • 23730-34-9

    23730-34-9

  • +

  • 76-05-1

    三氟乙酸

  • 374-00-5

    2-(三氟甲基)丙烯

  • +

  • 2266-38-8

    2266-38-8

  • 73572-26-6

    1-phenyl-1-methyl-2,2,2-trifluoroethyl tosylate

  • +

  • 64-19-7

    乙酸

  • 374-00-5

    2-(三氟甲基)丙烯

  • +

  • 141947-01-5

    141947-01-5

  • 23730-34-9

    23730-34-9

  • +

  • 64-19-7

    乙酸

  • 374-00-5

    2-(三氟甲基)丙烯

  • +

  • 358-12-3

    acetic acid-(2,2,2-trifluoro-1,1-dimethyl-ethyl ester)

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       2-Trifluoromethylpropene, min.97% (material sold in non-returnable cylinder)    
   CAS Registry Number:       374-00-5    
   Formula:       CH3C(CF3)=CH2    
   EINECS Number:       none    
   Chemical Family:       organofluorine compounds    
   Synonym:       3,3,3-Trifluoro-2-methyl-propene    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       374-00-5       100%       2.5mg/m3 (as F)       2.5mg/m3 (as F)    

Section 3: Hazards Identification
   Extremely flammable. Exposure to high concentrations in the atmosphere may cause drowsiness, fatigue and
   Emergency Overview:
   confusion.
   Primary Routes of Exposure:       Ingestion, inhalation, skin, eyes.    
   Eye Contact:       May cause irritation of the eyes.    
   Skin Contact:       May cause irritation of the skin.    
   Inhalation:       May be irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No specific information is available on the physiological effects of ingestion.    
   Acute Health Affects:       May be irritating to skin, eyes and respiratory tract.    
   Product contains fluorine which under certain conditions of use, decomposition, or metabolism, may generate
   Chronic Health Affects:       fluoride ion, causing, nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth    
   structure, kidney and liver damage.
   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 with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   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:       no data    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       dry chemical, carbon dioxide, water fog, or foam.    
   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 toxic organic fumes and corrosive hydrogen fluoride.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: Flammable. No unusual fire or explosion hazards

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       The material is a gas at room temperature. If released, leave the area until the gas disperses.    

SECTION 7: Handling and Storage
   Handling and Storage:       The material is stored in a cylinder.    

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 gloves and clothing.    
   Ventilation:       This product should only be handled 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:       This product should only be handled in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       gas    
   Molecular Weight:       110.08    
   Melting Point:       no data    
   Boiling Point:       6-7°C    
   Vapor Pressure:       25 psia, 20°C    
   Specific Gravity:       no data    
   Odor:       not determined    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       contact with ignition sources    
   Incompatibility:       active metals    
   Decomposition Products:       carbon dioxide, carbon monoxide, fluorinated by-products and organic fumes.    

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):       Compressed gases, flammable, N.O.S.    
   Hazard Class (CFR):       2.1    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       UN# 1954    
   Shipping Name (IATA):       Compressed gas, flammable, N.O.S.    
   Hazard Class (IATA):       2.1    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       UN# 1954    

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:2903399090

概述:
2903399090. 其他无环烃的氟化、溴化或碘化衍生物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2903399090. brominated,fluorinated or iodinated derivatives of acyclic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. 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):2.6

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:0

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:7

8.表面电荷:0

9.复杂度:79.4

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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