2-クロロ-4-ニトロピリジン塩化物

2-Chloro-4-nitropyridine

HCID 735152CAS 23056-36-2

部分構造検索類似構造を探す

基本情報

標準SMILES: O=[N+]([O-])c1ccnc(Cl)c1
InChIKey: LIEPVGBDUYKPLC-UHFFFAOYSA-N
分子式: C5H3ClN2O2
平均分子量: 158.54 g/mol
単同位体質量: 157.98830502

概要

structure in first source

名称と識別子

優先名称: 2-Chloro-4-nitropyridine
IUPAC: 2-chloro-4-nitropyridine
現地名: 2-クロロ-4-ニトロピリジン塩化物
英語名: 2-Chloro-4-nitropyridine
分子式: C5H3ClN2O2
分子量: 158.54

名称と別名

2-Chloro-4-nitropyridine23056-36-2DTXSID50352743RefChem:86269DTXCID20303808627-980-8Pyridine, 2-chloro-4-nitro-2-chloro-4-nitro-pyridineMFCD006614542-chloro-4nitropyridine2chloro-4-nitropyridineSCHEMBL190411

名称をさらに表示

2-クロロ-4-ニトロピリジン塩化物2-クロロ-4-ニトロピリジン4-Nitro-2-chloropyridine2-ChlAURORA 23245AKOS BBS-000013582-Chloro-4-nitropyriOTAVA-BB BB70175200532-chloro-4-nitropyrine2-Choro-4-nitropyridineoro-4-nitropyridine, 98%

AKOS000320214C2283AJ-333/25006257BCP263672-chloro-4-(nitro)pyridineorb2940321SCHEMBL4927400SCHEMBL4927715

データベース識別子

CAS: 23056-36-2
PubChem CID: 735152
DTXSID: DTXSID50352743
EC Number: 627-980-8
Nikkaji: J1.710.515I

物性

構造計算による物性

XLogP: 1.6
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: 10
形式電荷: 0
複雑度: 136

物理化学的性質

融点: 52 · 52-56 °C (lit.)
沸点: 258.4 · 258.4±20.0 °C(Predicted)
比重(密度): 1.489 · 1.489±0.06 g/cm3(Predicted)
闪点: 223 °F · 223 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): -1.93 · -1.93±0.10(Predicted)
外見: crystalline powder
色: Yellow
BRN: 120418 · 120418
InChI: InChI=1S/C5H3ClN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
InChIKey: LIEPVGBDUYKPLC-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC([N+]([O-])=O)=C1
CAS データベース: 23056 · 23056-36-2(CAS DataBase Reference)

化学的性質

化学的特性Light yellow powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

安全データ

wgk: 3
hs_code: 29333990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: IRRITANT
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用2-Chloro-4-nitropyridine is used in the preparation of (thio)barbituric acid derivatives in the treatment of obesity related non-alcoholic fatty liver disease. As well it is used in the production of selective and potent MET Kinase inhibitors.