3-氰基-4-三氟甲基吡啶

3-氰基-4-三氟甲基吡啶 基本信息
CAS号 13600-43-6 分子式 C7H3F3N2
分子量 172.10700 精确质量  172.02500
PSA  36.68000 LogP  1.97208

基本信息 展开↓

CAS号:
13600-43-6
3D弹球模型:
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分子式:
C7H3F3N2
分子量:
172.10700
中文名称:
3-氰基-4-三氟甲基吡啶
英文名称:
4-(Trifluoromethyl)nicotinonitrile
中文别名:
3-氰基-4-三氟甲基吡啶;
4-三氟甲基-3-氰基吡啶;
4-三氟甲基烟腈
英文别名:
4-(Trifluoromethyl)nicotinonitrile;
4-(trifluoromethyl)pyridine-3-carbonitrile;
4-(Trifluoromethyl)Nicotinonitrile
精确分子量/精确质量:
172.02500
极性分子表面积/PSA:
36.68000
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。
InChI:
InChI=1/C7H3F3N2/c8-7(9,10)5-1-2-12-6(3-5)4-11/h1-3H

物化性质展开↓

密度:
1.37g/cm3
沸点:
236.9ºC at 760 mmHg
闪点:
97.1ºC
折射率:
1.456
蒸汽压:
0.0452mmHg at 25°C

安全信息展开↓

海关代码:
2933399090
危险类别码:
R20/21/22
安全说明:
S36/37
危险标志:
Xn: Harmful;

合成路线查看所有的合成路线

  • 533932-97-7

    (Z)-3-[(4,4,4-trifluoro-3-oxo-1-butenyl)amino]-2-propenenitrile

  • +

  • 533932-96-6

    (E)-3-[(4,4,4-trifluoro-3-oxo-1-butenyl)amino]-2-propenenitrile

  • ~58%

  • 13600-43-6

    3-氰基-4-三氟甲基吡啶

  • 533932-97-7

    (Z)-3-[(4,4,4-trifluoro-3-oxo-1-butenyl)amino]-2-propenenitrile

  • ~47%

  • 13600-43-6

    3-氰基-4-三氟甲基吡啶

  • 533932-96-6

    (E)-3-[(4,4,4-trifluoro-3-oxo-1-butenyl)amino]-2-propenenitrile

  • ~42%

  • 13600-43-6

    3-氰基-4-三氟甲基吡啶

MSDS 展开↓

Name: 4-(Trifluoromethyl)nicotinonitrile 95+% Material Safety Data Sheet
Synonym: 3-Cyano-4-(trifluoromethyl)pyridin
CAS: 13600-43-6
Section 1 - Chemical Product   MSDS Name:4-(Trifluoromethyl)nicotinonitrile 95+% Material Safety Data Sheet
Synonym:3-Cyano-4-(trifluoromethyl)pyridin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13600-43-6 4-(Trifluoromethyl)nicotinonitrile 95+% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
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# 13600-43-6: 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: 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: C7H3F3N2
Molecular Weight: 172

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, acids, bases.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 13600-43-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(Trifluoromethyl)nicotinonitrile - 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: NITRILES, LIQUID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
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 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 13600-43-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13600-43-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13600-43-6 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:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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