53960-62-6 (1-(2-三氟甲基苯基)-2-硝基乙烯,1-((E)-2-Nitro-vinyl)-2-trifluoromethyl-benzene)

快速询单

结构式：

1-(2-三氟甲基苯基)-2-硝基乙烯MOL文件

CAS号：

53960-62-6

中文名称：

1-(2-三氟甲基苯基)-2-硝基乙烯

英文名称：

1-((E)-2-Nitro-vinyl)-2-trifluoromethyl-benzene

分子式：

C₉H₆F₃NO₂

分子量：

217.144652843475

1-(2-三氟甲基苯基)-2-硝基乙烯(53960-62-6)名称与标识符

名称

中文别名：

1-(2-三氟甲基苯基)-2-硝基乙烯;2-三氟甲基-beta-硝基苯乙烯;

英文别名：

1-(2-Nitrovinyl)-2-(trifluoromethyl)benzene;1-Trifluoromethyl-2-(2-nitrovinyl)benzene;trans-2-Trifluoromethyl-beta-nitrostyrene;1-(2-nitroethenyl)-2-(trifluoromethyl)benzene;1-[2-Nitrovinyl]-2-(trifluoromethyl)benzene;1-((E)-2-NITRO-VINYL)-2-TRIFLUOROMETHYL-BENZENE;1-(2-TrifluoroMethylphenyl)-2-nitroethylene;TRANS-BETA-NITRO-2-(TRIFLUOROMETHYL)-STY RENE, 99%;(E)-1-(2-nitrovinyl)-2-(trifluoromethyl)-benzene;TRANS-BETA-NITRO-2-(TRIFLUOROMETHYL)-;1-[(1e)-2-nitroethenyl]-2-(trifluoromethyl)benzene;AKOS009156605;53960-62-6;CHEMBL2409307;MFCD00192358;EN300-108657;CS-0236765;1-((E)-2-nitrovinyl)-2-trifluoromethylbenzene;1-[(E)-2-nitroethenyl]-2-(trifluoromethyl)benzene;192818-73-8;(E)-1-(2-nitrovinyl)-2-(trifluoromethyl)benzene;SCHEMBL1010123;1-((1E)-2-nitrovinyl)-2-(trifluoromethyl)benzene;EN300-1726232;AS-5856;A829861;

标识符

MDL：

MFCD00192358

InChIKey：

CAXVHMDVSKVTID-AATRIKPKSA-N

Inchi：

1S/C9H6F3NO2/c10-9(11,12)8-4-2-1-3-7(8)5-6-13(14)15/h1-6H/b6-5+

SMILES：

FC(C1C=CC=CC=1/C=C/[N+](=O)[O-])(F)F

1-(2-三氟甲基苯基)-2-硝基乙烯(53960-62-6)物化性质

实验特性

LogP : 3.47600
PSA : 45.82000
沸点 : 252.6±35.0 °C at 760 mmHg
熔点 : 63-66 ºC
蒸气压 : 0.0±0.5 mmHg at 25°C
闪点 : 106.6±25.9 °C
密度 : 1.4±0.1 g/cm3

计算特性

精确分子量 : 217.03500
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 3
同位素质量 : 217.03506292g/mol
重原子数量 : 15
复杂度 : 257
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） : 3.1
拓扑分子极性表面积 : 45.8Å²

1-(2-三氟甲基苯基)-2-硝基乙烯(53960-62-6)安全信息

WGK Germany： 3
安全术语： S26
安全说明： S26
风险术语： R36/37/38
危险品标志： Xi
危害声明：H303+H313+H333
警示性声明：P264+P280+P305+P351+P338+P337+P313
储存条件： storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
危险类别码： R36/37/38
信号词： warning

1-(2-三氟甲基苯基)-2-硝基乙烯(53960-62-6)国际标准相关数据

EINECS：

1-(2-三氟甲基苯基)-2-硝基乙烯(53960-62-6)海关数据

海关编码：

2904909090

海关数据：

中国海关编码：

2904909090

概述：

2904909090 其他烃的磺化、硝化、亚硝化衍生物（不论是否卤化）. 增值税率:17.0% 退税率:9.0% 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

Summary：

HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1-(2-三氟甲基苯基)-2-硝基乙烯(53960-62-6)推荐厂家更多厂家(6)

公司名称	手机号/电话	联系人	QQ	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	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
上海依赫生物科技有限公司	17721395025 021-68882955	张经理	2423903095	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
北京华威锐科化工有限公司	13269663372 010-89508211	李爽	2853391965	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单

1-(2-三氟甲基苯基)-2-硝基乙烯(53960-62-6)参考资料

Reaxys RN：

PubChem CID：

5393139

1-(2-三氟甲基苯基)-2-硝基乙烯(53960-62-6) MSDS

基础信息

Name:	1-(2-Nitrovinyl)-2-(trifluoromethyl)benzene 97% Material Safety Data Sheet
Synonym:
CAS:	53960-62-6

Section 1 - Chemical Product ? MSDS Name:1-(2-Nitrovinyl)-2-(trifluoromethyl)benzene 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
53960-62-6	1-(2-Nitrovinyl)-2-(trifluoromethyl)be	97%	unlisted

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. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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:
Treat symptomatically and supportively.

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# 53960-62-6: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 60 - 62 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: C9H6F3NO2
Molecular Weight: 217

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 53960-62-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(2-Nitrovinyl)-2-(trifluoromethyl)benzene - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 53960-62-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 53960-62-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 53960-62-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A