结构:O=[N+]([O-])c1cc(Cl)cc2cccnc12
HCID110462

6-Chloro-8-nitroquinoline

C9H5ClN2O2208.6 g/molCAS 68527-66-2

IDENTITY

结构与身份

标准 SMILES
O=[N+]([O-])c1cc(Cl)cc2cccnc12
InChIKey
LLXHVCBOOWNXPV-UHFFFAOYSA-N
分子式
C9H5ClN2O2
平均分子量
208.6 g/mol
单同位素质量
208.0039551

COMPUTED

结构计算性质

已同步
XLogP
2.5
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

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (100%): Causes serious eye damage [Danger 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+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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

来源:PubChem
Hazard Classes and Categories

Acute Tox. 3 (100%);Skin Irrit. 2 (100%);Eye Dam. 1 (100%);STOT SE 3 (100%)

USES

用途与制造

来源:PubChem
General Manufacturing Information

Quinoline, 6-chloro-8-nitro-: INACTIVE

ALIASES

名称与别名

24
6-Chloro-8-nitroquinolineQuinoline, 6-chloro-8-nitro-DTXSID2071609RefChem:104417DTXCID4046078659-368-168527-66-2MFCD000923806-CHLORO-8-NITRO-QUINOLINESCHEMBL3557626SMSSF-0510063AKOS000127237CS-W015198MB00632AMS_CNC_ID-1069463980NCGC00331616-01AS-48698SY172893DB-074037EN300-29787

REACTIONS

参与反应

4
HRID104360

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 104360 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看条件与参与物