CAS 25194-01-8 2,6-Dichloro-4-nitropyridine (HCID 3841070)

基本情報

CAS: 25194-01-8
標準SMILES: O=[N+]([O-])c1cc(Cl)nc(Cl)c1
InChIKey: BZYQSSVTQJTUDD-UHFFFAOYSA-N
分子式: C5H2Cl2N2O2
平均分子量: 192.98 g/mol
単同位体質量: 191.94933266

名称と識別子

優先名称: 2,6-Dichloro-4-nitropyridine
IUPAC: 2,6-dichloro-4-nitropyridine
現地名: 2,6-ジクロロ-4-ニトロピリジン
英語名: 2 6-Dichloro-4-nitropyridine 97
分子式: C5H2Cl2N2O2
分子量: 192.99

名称と別名

2,6-Dichloro-4-nitropyridine25194-01-8DTXSID60397165RefChem:248261DTXCID90348024627-994-4Pyridine, 2,6-dichloro-4-nitro-MFCD056705452,6-Dichloro-4-nitro-pyridineSCHEMBL805900BZYQSSVTQJTUDD-UHFFFAOYSA-NCL0021

名称をさらに表示

2,6-ジクロロ-4-ニトロピリジンbenzylsulfonylmethylbenzenePyridine,2,6-dichloro-4-nitro-2 6-Dichloro-4-nitropyridine 972,6-Dichloro-4-nitropyridine 97%phenylmethylsulfonylmethylbenzene2 6-DICHLORO-4-NITROPYRIDINE 97 ISO 9001：2015 REACH

2,6-Dichloro-4-nitropyridine, 97%AKOS005145614AKOS015892289CS-W020683MS-3396PB42398AC-23215SY009256

データベース識別子

CAS: 25194-01-8
PubChem CID: 3841070
DTXSID: DTXSID60397165
EC Number: 627-994-4

物性

構造計算による物性

XLogP: 1.9
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: 11
形式電荷: 0
複雑度: 151

物理化学的性質

融点: 94 · 94-98 °C
沸点: 282.9 · 282.9±35.0 °C(Predicted)
比重(密度): 1.629 · 1.629±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: Gold to faint brown/tan, tiny crystalline flakes
酸解離定数(Pka): -5.1 · -5.10±0.10(Predicted)
InChI: InChI=1S/C5H2Cl2N2O2/c6-4-1-3(9(10)11)2-5(7)8-4/h1-2H
InChIKey: BZYQSSVTQJTUDD-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC([N+]([O-])=O)=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 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 (100%)

安全データ

wgk: 3
hs_code: 2933399990
risk_code: 22-37/38-41-43-36/37/38
hazard_code: Xn,Xi
safety_code: 26-39-36/37/39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids