1-(2,6-Dichlorophenyl)-3-(4-pyridyl)urea

HCID 4610560

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 97627-17-3
標準SMILES: O=C(Nc1ccncc1)Nc1c(Cl)cccc1Cl
InChIKey: PVKLVNYMLMHFLL-UHFFFAOYSA-N
分子式: C12H9Cl2N3O
平均分子量: 282.12 g/mol
単同位体質量: 281.01226727

名称と識別子

優先名称: 1-(2,6-Dichlorophenyl)-3-(4-pyridyl)urea
IUPAC: 1-(2,6-dichlorophenyl)-3-pyridin-4-ylurea

名称と別名

1-(2,6-DICHLOROPHENYL)-3-(4-PYRIDYL)UREARefChem:420622635-530-797627-17-31-(2,6-Dichlorophenyl)-3-(pyridin-4-yl)ureaUrea, N-(2,6-dichlorophenyl)-N'-4-pyridinyl-CHEMBL171285SCHEMBL5640003DTXSID20404849PVKLVNYMLMHFLL-UHFFFAOYSA-NAKOS024336709N-(2,6-Dichlorophenyl)-N'-(4-pyridyl)urea

名称をさらに表示

N-(2,6-Dichlorophenyl)-N'-4-pyridinyl UreaN-(2,6-Dichlorophenyl)-N'-(pyridin-4-yl)urea

データベース識別子

CAS: 97627-17-3
PubChem CID: 4610560
DTXSID: DTXSID20404849
ChEMBL: CHEMBL171285
EC Number: 635-530-7
Nikkaji: J273.816C

物性

構造計算による物性

XLogP: 1.6
極性表面積: 54 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 274

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.