16642-92-5 (4-三氟甲基肉桂酸,(2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid)

CAS号:
16642-92-5
中文名称:
4-三氟甲基肉桂酸
英文名称:
(2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
安全信息:
分子式:
C10H7F3O2
分子量:
216.156593561172

4-三氟甲基肉桂酸(16642-92-5)名称与标识符

名称

中文别名:
4-三氟甲基肉桂酸;对三氟甲基肉桂酸;反式-4-三氟甲基肉桂酸;对三氟甲基桂皮酸;反-4-三氟甲基肉桂酸;反-对三氟甲基肉桂酸;反式-4-三氟甲基苯丙烯酸;4-三氟甲基苯丙烯酸;反式-4-(三氟甲基)肉桂酸;4-(三氟甲基)肉桂酸;4-(三氟甲基)苯乙烯酸;(E)-3-(4-(三氟甲基)苯基)丙烯酸;反-4-三氟甲基肉桂酸,98%;
英文别名:
4-(Trifluoromethyl)cinnamic acid;p-(Trifluoromethyl)cinnamic acid;RARECHEM BK HW 0019;PTF-CNA;TRANS-P-(TRIFLUOROMETHYL)CINNAMIC ACID;TRANS-4-(TRIFLUOROMETHYL)CINNAMIC ACID;3-(4-TRIFLUOROMETHYLPHENYL)ACRYLYC ACID;4-Trifluoromethylcinnamic;4-(Trifluoromethyl)cinmic acid;(E)-4-(Trifluoromethyl)cinnamic acid;trans-4-(Trifluoromethyl)ciamic acid;4-(Trifluoromethyl)cinnamicacid98%;4-(Trifluoromethyl)cinnamic acid 98%;4-trifluoromethylcinnamicacid;(e)-3-(4-(trifluoromethyl)phenyl)acrylic acid;4-Trifluoromethylcinnamic acid;2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-;(2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid;trans-4-Trifluoromethylcinnamic acid;(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid;3-(4-trifluoromethyl-phenyl)-acrylic acid;ANRMAUMHJREENI-ZZXKWVIFSA-N;para-(trifluoromet;

标识符

MDL:
MFCD00002696
InChIKey:
ANRMAUMHJREENI-ZZXKWVIFSA-N
Inchi:
1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+
SMILES:
FC(C1C=CC(/C=C/C(=O)O)=CC=1)(F)F
BRN:
2452800

4-三氟甲基肉桂酸(16642-92-5)物化性质

实验特性

  • LogP : 2.80320
  • PSA : 37.30000
  • 沸点 : 279.2°C at 760 mmHg
  • 熔点 : 229.0 to 233.0 deg-C
  • 闪点 : 122.6℃
  • 颜色与性状 : White cryst.
  • 溶解性 : 未确定
  • 密度 : 1.3275 (estimate)

计算特性

  • 精确分子量 : 216.04000
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 2
  • 同位素质量 : 216.04
  • 重原子数量 : 15
  • 复杂度 : 250
  • 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
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 37.3

4-三氟甲基肉桂酸(16642-92-5)海关数据

海关编码:
2916399090
海关数据:

中国海关编码:

2916399090

概述:

2916399090 其他芳香一元羧酸. 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, 丙烯酸、丙烯酸盐或酯应报明包装

Summary:

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-三氟甲基肉桂酸(16642-92-5)推荐厂家 更多厂家(61)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单
湖北方德新材料有限公司 18086096695邱经理 1462312301
询单
郑州阿尔法化工有限公司 15324716602
0371-55013243
刘经理 2853979810
询单
湖北扬信医药科技有限公司 13092795037
0714-3996388
熊磊 3003473323
询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
上海绩祥生物科技有限公司 13093077543陆经理 3985448220
询单
赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
询单
赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
询单
上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
询单
上海腾准生物科技有限公司 19821570922
021-34053661
张经理 3003871136
询单

4-三氟甲基肉桂酸(16642-92-5)参考资料

Reaxys RN:
2452800
Beilstein:
MFCD00002696
PubChem CID:

4-三氟甲基肉桂酸(16642-92-5) MSDS

基础信息

Name:Trans-p-(trifluoromethyl)cinnamic acid 98 % Material Safety Data Sheet
Synonym:None
CAS:16642-92-5
Section 1 - Chemical Product ? MSDS Name:Trans-p-(trifluoromethyl)cinnamic acid 98 % Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
16642-92-5trans-4-(trifluoromethyl)cinnamic acid98.0unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Causes irritation of mucous membrane.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:
Treat symptomatically and supportively.
Antidote: None reported.

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 16642-92-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 231 - 233 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: C10H7F3O2
Molecular Weight: 216.16

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 16642-92-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
trans-4-(trifluoromethyl)cinnamic acid - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
? Other No information available.

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: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 16642-92-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16642-92-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16642-92-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A