4-Bromo-2-{[(3,5-dichlorophenyl)imino]methyl}phenol

HCID 710164CAS 303759-09-3

基本情報

標準SMILES: Oc1ccc(Br)cc1C=Nc1cc(Cl)cc(Cl)c1
InChIKey: UHGJKERLQDVILY-UHFFFAOYSA-N
分子式: C13H8BrCl2NO
平均分子量: 345 g/mol

名称と識別子

優先名称: 4-Bromo-2-{[(3,5-dichlorophenyl)imino]methyl}phenol
IUPAC: 4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol
英語名: 4-bromo-2-{[(3,5-dichlorophenyl)imino]methyl}phenol
分子式: C13H8BrCl2NO
分子量: 345.02

名称と別名

303759-09-34-bromo-2-{[(3,5-dichlorophenyl)imino]methyl}phenol4-bromo-2-{(E)-[(3,5-dichlorophenyl)imino]methyl}phenol4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol(E)-4-bromo-2-(((3,5-dichlorophenyl)imino)methyl)phenol2-[(1E)-2-(3,5-dichlorophenyl)-2-azavinyl]-4-bromophenol4-Bromo-2-(((3,5-dichlorophenyl)imino)methyl)phenolSCHEMBL329959SCHEMBL329960SCHEMBL30342888UHGJKERLQDVILY-UHFFFAOYSA-NMFCD00813193

名称をさらに表示

Phenol, 4-bromo-2-[[(3,5-dichlorophenyl)imino]methyl]-

STK044535(6E)-4-bromo-6-[(3,5-dichloroanilino)methylidene]cyclohexa-2,4-dien-1-oneAKOS000484086BS-10482ST010323CS-0333237AN-329/113782223,5-dichloro-N-(5-bromo-2-hydroxybenzylidene)aniline

データベース識別子

CAS: 303759-09-3
PubChem CID: 710164
EC Number: 167-314-9

物性

構造計算による物性

XLogP: 4.8
極性表面積: 32.6 Å²
水素結合供与体数: 1
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: 293

物理化学的性質

沸点: 477.1 · 477.1±45.0 °C(Predicted)
比重(密度): 1.58 · 1.58±0.1 g/cm3(Predicted)
酸解離定数(Pka): 7.51 · 7.51±0.43(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.