Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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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
- 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
Density
1.254 @ 30°C
Boiling Point
152.2 °C @760 [mm Hg]
Kovats Retention Index
883.4；883.4
GHS
GHS分类
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
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
Protective Action Criteria (PAC)
20 [mg/m3]
220 [mg/m3]
1300 [mg/m3]
REGULATORY
法规信息
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
General Manufacturing Information
Benzene, 1-chloro-2-(trifluoromethyl)-: ACTIVE
ALIASES
名称与别名
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
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08138340B2
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uspto-grants-1991_06 · 10.6084/m9.figshare.5104873.v1 · US05026863
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