结构:O=[N+]([O-])c1ccc(Br)c2ncccc12
HCID15709182

8-Bromo-5-nitroquinoline

C9H5BrN2O2253.05 g/molCAS 139366-35-1

IDENTITY

结构与身份

标准 SMILES
O=[N+]([O-])c1ccc(Br)c2ncccc12
InChIKey
LEMUPVPKQOTZAE-UHFFFAOYSA-N
分子式
C9H5BrN2O2
平均分子量
253.05 g/mol
单同位素质量
251.95344

COMPUTED

结构计算性质

已同步
XLogP
3.1
极性表面积
58.7 Ų
氢键供体
0
氢键受体
3
可旋转键
0
重原子
14
形式电荷
0
复杂度
231

GHS

GHS 分类

来源:PubChem
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

来源:PubChem
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

24
8-BROMO-5-NITROQUINOLINE139366-35-1DTXSID50577156RefChem:311845DTXCID80527927963-228-88-Bromo-5-nitro-quinolineQuinoline, 8-bromo-5-nitro-MFCD00509069SCHEMBL3189942CHEMBL4226711SCHEMBL31731538LEMUPVPKQOTZAE-UHFFFAOYSA-NSBB080965AKOS000275861SB71780DS-13340SY106966DB-063305CS-0035507

REACTIONS

参与反应

17
HRID162300

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 162300 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看条件与参与物