uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653263B2
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(O)c1ncccc1-c1ccccc1
- InChIKey
- SJLPJJGKJSOUOR-UHFFFAOYSA-N
- 分子式
- C12H9NO2
- 平均分子量
- 199.2 g/mol
- 单同位素质量
- 199.06332853
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 50.2 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 224
GHS
GHS分类
GHS Classification
Warning
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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
Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)
ALIASES
名称与别名
103863-15-63-Phenylpicolinic acid3-phenylpyridine-2-carboxylic Acid3-Phenyl-2-pyridinecarboxylic acidMFCD041141123-phenyl-pyridine-2-carboxylic acidphenylpicolinic acid3-Phenylpicolinicacid3-phenyl picolinic acidSCHEMBL287699DTXSID40376453SJLPJJGKJSOUOR-UHFFFAOYSA-NDEA86315SBB052969AKOS006280750SB52695AS-39481SY123300CS-0046989F065974
REACTIONS