HRID14277
uspto-grants-2010_06
作为反应物
uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07727997B2
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- NCc1cccc(Br)c1
- InChIKey
- SUYJXERPRICYRX-UHFFFAOYSA-N
- 分子式
- C7H8BrN
- 平均分子量
- 186.05 g/mol
- 单同位素质量
- 184.98401
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 26 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 85
GHS
GHS 分类
GHS Classification
Danger
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 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
Hazard Classes and Categories
Acute Tox. 4 (16.7%)；Skin Corr. 1B (100%)；Eye Dam. 1 (16.7%)
ALIASES
名称与别名
3-Bromobenzylamine10269-01-9Benzenemethanamine, 3-bromo-DTXSID70145457RefChem:563268DTXCID3067948679-024-4(3-bromophenyl)methanamine1-(3-BROMOPHENYL)METHANAMINEMFCD010261193-bromobenzyl amineM-BROMOBENZYLAMINEEN300-601574JH3-Bromo-benzylaminebenzylamine, 3-bromo-3-bromophenylmethylamine3-aminomethylbromobenzene(3-bromophenyl)methyl-amineSCHEMBL42450
REACTIONS
参与反应
HRID50812
uspto-grants-2004_03
作为反应物
uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713484B2
查看条件与参与物HRID155176
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID174716
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID200914
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID204348
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID250819
uspto-grants-2011_01
作为反应物
uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863332B2
查看条件与参与物HRID250825
uspto-grants-2011_01
作为反应物
uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863332B2
查看条件与参与物