175136-63-7 (3,5-双(三氟甲基)肉桂腈,3-(3,5-Bis(trifluoromethyl)phenyl)acrylonitrile)

CAS号:
175136-63-7
中文名称:
3,5-双(三氟甲基)肉桂腈
英文名称:
3-(3,5-Bis(trifluoromethyl)phenyl)acrylonitrile
分子式:
C11H5F6N
分子量:
265.154523611069

3,5-双(三氟甲基)肉桂腈(175136-63-7)名称与标识符

名称

中文别名:
3,5-双(三氟甲基)肉桂腈;3,5-二(三氟甲基)肉桂腈;5-乙基-2,3,4,5-四甲基环己烯-1-酮;3,5-二(三氟甲基)肉桂腈,98%;
英文别名:
3-(3,5-Bis(trifluoromethyl)phenyl)acrylonitrile;3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ACRYLONITRILE;3-[3,5-DI(TRIFLUOROMETHYL)PHENYL]ACRYLONITRILE;3,5-BIS(TRIFLUOROMETHYL)CINNAMONITRILE;(E)-3-(3,5-bis(trifluoromethyl)phenyl)acrylonitrile;3-[3,5-Bis(trifluoromethyl)phenyl]acrylonitrile97%;3-[3,5-Bis(trifluoromethyl)phenyl]acrylonitrile 97%;XZINYAZSRZTYPY-OWOJBTEDSA-N;EN300-23876698;2-Propenenitrile, 3-[3,5-bis(trifluoromethyl)phenyl]-;CS-0266329;A811758;175136-63-7;SR-01000645445-1;(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile;AKOS000121143;FS-5017;HMS549P03;(2E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile;AKOS025310024;1027717-63-0;MFCD00051605;EN300-26034;3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile;SCHEMBL3594419;CCG-56493;2-Propenenitrile,3-[3,5-bis(trifluoromethyl)phenyl]-;CHEMBL5282030;G29502;

标识符

MDL:
MFCD00051605
InChIKey:
XZINYAZSRZTYPY-OWOJBTEDSA-N
Inchi:
1S/C11H5F6N/c12-10(13,14)8-4-7(2-1-3-18)5-9(6-8)11(15,16)17/h1-2,4-6H/b2-1+
SMILES:
FC(C1C=C(/C=C/C#N)C=C(C(F)(F)F)C=1)(F)F

3,5-双(三氟甲基)肉桂腈(175136-63-7)物化性质

实验特性

  • LogP : 4.26098
  • PSA : 23.79000
  • 折射率 : 1.457
  • 沸点 : 247°Cat760mmHg
  • 熔点 : 80 °C
  • 闪点 : 103.2°C
  • 颜色与性状 : 晶体状粉末
  • 溶解性 : 未确定
  • 密度 : 1.389

计算特性

  • 精确分子量 : 265.03300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 1
  • 同位素质量 : 265.033
  • 重原子数量 : 18
  • 复杂度 : 336
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.8
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 23.8

3,5-双(三氟甲基)肉桂腈(175136-63-7)安全信息

3,5-双(三氟甲基)肉桂腈(175136-63-7)海关数据

海关编码:
2926909090
海关数据:

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

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%

3,5-双(三氟甲基)肉桂腈(175136-63-7)推荐厂家 更多厂家(7)

3,5-双(三氟甲基)肉桂腈(175136-63-7) MSDS

基础信息

Name:3-[3 5-Di(trifluoromethyl)phenyl]acrylonitrile 97% Material Safety Data Sheet
Synonym:3-[3,5-Di(trifluoromethyl)cinnamonitril
CAS:175136-63-7
Section 1 - Chemical Product ? MSDS Name:3-[3 5-Di(trifluoromethyl)phenyl]acrylonitrile 97% Material Safety Data Sheet
Synonym:3-[3,5-Di(trifluoromethyl)cinnamonitril

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
175136-63-73-[3,5-Di(trifluoromethyl)phenyl]acryl97%unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes 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:
Vacuum or sweep up material and place into a suitable disposal 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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 175136-63-7: 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: Solid
Color: white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 80 deg C
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: C11H5F6N
Molecular Weight: 265

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
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# 175136-63-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-[3,5-Di(trifluoromethyl)phenyl]acrylonitrile - 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, SOLID, 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.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 175136-63-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175136-63-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175136-63-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A