Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- Fc1c(F)c(F)c(CBr)c(F)c1F
- InChIKey
- XDEPVFFKOVDUNO-UHFFFAOYSA-N
- 分子式
- C7H2BrF5
- 平均分子量
- 260.99 g/mol
- 单同位素质量
- 259.926
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 0 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 1
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 162
PROPERTIES
实验与物化性质
Physical Description
Colorless liquid; mp = 18-20 deg C; [Alfa Aesar MSDS]
Kovats Retention Index
991
GHS
GHS分类
GHS Classification
Danger
H314 (96.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H319 (12.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (12.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 9 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, (bromomethyl)pentafluoro-
2,3,4,5,6-Pentafluorobenzylbromide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Hydrolyzed by water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Hexafluorobenzene.
Hazard Classes and Categories
Skin Corr. 1B (96.4%);Eye Irrit. 2 (12.7%);STOT SE 3 (12.7%)
TOXICITY
毒理信息
Adverse Effects
Dermatotoxin - Skin burns.;Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
REGULATORY
法规信息
Regulatory Information
Chemical: Benzene, (bromomethyl)pentafluoro-
2,3,4,5,6-Pentafluorobenzylbromide: Does not have an individual approval but may be used under an appropriate group standard
ALIASES
名称与别名
REACTIONS
参与反应
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