HRID1905842
uspto-grants-1987_03
作为生成物
uspto-grants-1987_03 · 10.6084/m9.figshare.5104873.v1 · US04648896
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- Nc1c(Cl)nc(-c2ccccc2)nc1Cl
- InChIKey
- WYMSKTBVPZTMHU-UHFFFAOYSA-N
- 分子式
- C10H7Cl2N3
- 平均分子量
- 240.09 g/mol
- 单同位素质量
- 239.0017026
COMPUTED
结构计算性质
- XLogP
- 3.1
- 极性表面积
- 51.8 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 197
PROPERTIES
实验与物化性质
Solubility
7.9 [ug/mL] (The mean of the results at pH 7.4)
GHS
GHS 分类
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
HAZARDS
危害信息
Hazard Classes and Categories
Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
ALIASES
名称与别名
4,6-dichloro-2-phenylpyrimidin-5-amine20959-02-8DTXSID00353083RefChem:285790DTXCID50304146820-107-35-Pyrimidinamine, 4,6-dichloro-2-phenyl-5-Amino-4,6-dichloro-2-phenylpyrimidineMFCD005202514,6-dichloro-2-phenyl-5-pyrimidinamineMLS001004608SCHEMBL4663325CHEMBL1581179WYMSKTBVPZTMHU-UHFFFAOYSA-NHMS1754L16AKOS002528566SB580294,6-dichloro-2-phenyl-pyrimidin-5-amineSMR0003481744,6-dichloro-2-phenylpyrimidine-5-ylamine
REACTIONS