Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(Br)c1ccccc1
- InChIKey
- AQIHMSVIAGNIDM-UHFFFAOYSA-N
- 分子式
- C7H5BrO
- 平均分子量
- 185.02 g/mol
- 单同位素质量
- 183.95238
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 17.1 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 105
GHS
GHS分类
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 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
Benzoyl bromide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Corr. 1B (100%);STOT SE 3 (95.2%)
REGULATORY
法规信息
Regulatory Information
Benzoyl bromide: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
General Manufacturing Information
Benzoyl bromide: INACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863288B2
查看uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872018B2
查看uspto-grants-1978_05 · 10.6084/m9.figshare.5104873.v1 · US04088646
查看uspto-grants-1998_10 · 10.6084/m9.figshare.5104873.v1 · US05817851
查看uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748426B2
查看