uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08759331B2
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IDENTITY
结构与身份
- 标准SMILES
- O=Cc1ccc2ccc(Br)cc2n1
- InChIKey
- UAAIYUWCJFTSAF-UHFFFAOYSA-N
- 分子式
- C10H6BrNO
- 平均分子量
- 236.06 g/mol
- 单同位素质量
- 234.96328
COMPUTED
结构计算性质
- XLogP
- 2.8
- 极性表面积
- 30 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 197
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
7-bromoquinoline-2-carbaldehyde904369-20-67-bromo-2-QuinolinecarboxaldehydeDTXSID601299309RefChem:545723DTXCID601729457878-228-27-bromo-quinoline-2-carbaldehyde7-Bromoquinoline-2-carboxaldehydeSCHEMBL2016701UAAIYUWCJFTSAF-UHFFFAOYSA-NELB36920AKOS022493796AT13142SB39762DB-369487EN300-124965Z1269177364
REACTIONS
