6-Chloro-5-nitroquinoline

HCID 4070800CAS 86984-32-9

基本情報

標準SMILES: O=[N+]([O-])c1c(Cl)ccc2ncccc12
InChIKey: GIMHFTJFCRTQRS-UHFFFAOYSA-N
分子式: C9H5ClN2O2
平均分子量: 208.6 g/mol
単同位体質量: 208.0039551

名称と識別子

優先名称: 6-Chloro-5-nitroquinoline
IUPAC: 6-chloro-5-nitroquinoline
英語名: 6-Chloro-5-nitroquinoline
分子式: C9H5ClN2O2
分子量: 208.6

名称と別名

6-chloro-5-nitroquinoline86984-32-9Quinoline, 6-chloro-5-nitro-DTXSID00398999RefChem:104411DTXCID30349858660-340-6GIMHFTJFCRTQRS-UHFFFAOYSA-NMFCD000936165-Nitro-6-chloroquinoline5-nitro-6-chloro-quinolineSCHEMBL2004290

名称をさらに表示

6-Chloro-5-nitroquinoline 98%6-CHLORO-5-NITROQUINOLINE ISO 9001：2015 REACH

AKOS005259257DS-0520CS-0100662Z432085074AM20070172FT-0649605A23246SB71547

データベース識別子

CAS: 86984-32-9
PubChem CID: 4070800
DTXSID: DTXSID00398999
EC Number: 660-340-6
Nikkaji: J1.077.990A

物性

構造計算による物性

XLogP: 2.6
極性表面積: 58.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 231

物理化学的性質

沸点: 356.7 · 356.7±27.0 °C(Predicted)
比重(密度): 1.484 · 1.484±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 2.02 · 2.02±0.15(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.4%): 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 39 reports by companies from 2 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.