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结构：FC(F)(F)c1ccccc1Cl
HCID6921

1-Chloro-2-(trifluoromethyl)benzene

C7H4ClF3180.55 g/molCAS 52181-51-8
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IDENTITY

结构与身份

标准 SMILES
FC(F)(F)c1ccccc1Cl
InChIKey
DGRVQOKCSKDWIH-UHFFFAOYSA-N
分子式
C7H4ClF3
平均分子量
180.55 g/mol
单同位素质量
179.9953623

COMPUTED

结构计算性质

已同步
XLogP
3.5
极性表面积
0 Ų
氢键供体
0
氢键受体
3
可旋转键
0
重原子
11
形式电荷
0
复杂度
132

PROPERTIES

实验与物化性质

来源：PubChem
Density

1.254 @ 30°C

Boiling Point

152.2 °C @760 [mm Hg]

Kovats Retention Index

883.4；883.4

GHS

GHS 分类

来源：PubChem
GHS Classification

Warning

H226 (90.8%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (76.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 284 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem
Regulatory Information

Chemical: Benzene, 1-chloro-2-(trifluoromethyl)-

1-Chloro-2-(trifluoromethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories

Flam. Liq. 3 (90.8%)；Acute Tox. 4 (76.8%)；Skin Irrit. 2 (88%)；Eye Irrit. 2 (88%)；STOT SE 3 (87.7%)

Flammable agents - 2nd degree, Reactive agents - 1st degree

SAFETY

安全与防护

来源：PubChem
Protective Action Criteria (PAC)

20 [mg/m3]

220 [mg/m3]

1300 [mg/m3]

REGULATORY

法规信息

来源：PubChem
Regulatory Information

Chemical: Benzene, 1-chloro-2-(trifluoromethyl)-

1-Chloro-2-(trifluoromethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

USES

用途与制造

来源：PubChem
General Manufacturing Information

Benzene, 1-chloro-2-(trifluoromethyl)-: ACTIVE

ALIASES

名称与别名

共 77 条
2-Chlorobenzotrifluoride88-16-41-Chloro-2-(trifluoromethyl)benzeneo-ChlorobenzotrifluorideChlorobenzotrifluoride2-Chloro(trifluoromethyl)benzeneo-(Trifluoromethyl)chlorobenzeneBenzene, 1-chloro-2-(trifluoromethyl)-2-Chloro-alpha,alpha,alpha-trifluorotolueneo-(Trifluoromethyl)phenyl chloride52181-51-8o-Chloro-alpha,alpha,alpha-trifluorotolueneBenzene, chloro(trifluoromethyl)-Chlorotrifluorotoluene(Trifluoromethyl)chlorobenzeneCHLORO(TRIFLUOROMETHYL)BENZENENSC 10307CCRIS 2809DTXSID90247742-(TRIFLUOROMETHYL)CHLOROBENZENE

REACTIONS

参与反应

15 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂
HRID99513

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 99513 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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