CAS 2491-76-1 4-(Para-chlorophenylazo)-N,N-dimethylaniline (HCID 17226)

基本情報

CAS: 2491-76-1
標準SMILES: CN(C)c1ccc(N=Nc2ccc(Cl)cc2)cc1
InChIKey: WQWHNMIYCHFRJK-UHFFFAOYSA-N
分子式: C14H14ClN3
平均分子量: 259.73 g/mol
単同位体質量: 259.08762513

名称と識別子

優先名称: 4-(Para-chlorophenylazo)-N,N-dimethylaniline
IUPAC: 4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
現地名: 4'-クロロ-4-ジメチルアミノアゾベンゼン
英語名: 4'-Chloro-4-dimethylaminoazobenzene
分子式: C14H14ClN3
分子量: 259.73

名称と別名

4-(PARA-CHLOROPHENYLAZO)-N,N-DIMETHYLANILINERefChem:516583652-059-22491-76-14'-Chloro-4-dimethylaminoazobenzene4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline4-Chloro-4-dimethylaminoazobenzenep-ChlorodimethylaminoazobenzeneMFCD000594814-[2-(4-chlorophenyl)diazen-1-yl]-N,N-dimethylanilineN,N-Dimethyl-p-((p-chlorophenyl)azo)anilineBenzenamine, 4-[2-(4-chlorophenyl)diazenyl]-N,N-dimethyl-

名称をさらに表示

4'-クロロ-4-ジメチルアミノアゾベンゼン4-[(4-クロロフェニル)アゾ]-N,N-ジメチルベンゼンアミン4'-クロロ-4-(ジメチルアミノ)アゾベンゼン4-ジメチルアミノ-4'-クロロアゾベンゼン4-[2-(4-クロロフェニル)ジアゼン-1-イル]-N,N-ジメチルアニリンN,N-ジメチル-4′-クロロアゾベンゼン-4-アミン4′-クロロ-4-(ジメチルアミノ)アゾベンゼンchlorodimethylaminoazobenzene4-DIMETHYLAMINO-4'-CHLOROAZOBENZENE4-(4-chlorophenyl)azo-N,N-dimethylanilinen,n-Dimethyl-p-[(p-chlorophenyl)azo]anilinen,n-dimethyl-p-((p-chlorophenyl)azo)-anilinN,N-dimethyl-p-[(p-chlorophenyl)azo]-Aniline[4-(4-chlorophenyl)azophenyl]-dimethyl-amine

ANILINE, N,N-DIMETHYL-p-((p-CHLOROPHENYL)AZO)-CHEMBL2311897(E)-4-((4-chlorophenyl)diazenyl)-N,N-dimethylaniline1081768-03-7BRN 4685542p-Chloro-p'-dimethylaminoazobenzeneAniline, p-[(p-chlorophenyl)azo]-N,N-dimethyl-Benzenamine, 4-[(4-chlorophenyl)azo]-N,N-dimethyl-

データベース識別子

CAS: 2491-76-1
PubChem CID: 17226
DTXSID: DTXSID401037484
ChEMBL: CHEMBL2311897
EC Number: 652-059-2
Nikkaji: J33.771D

物性

構造計算による物性

XLogP: 5.2
極性表面積: 28 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: 3
重原子数: 18
形式電荷: 0
複雑度: 264

物理化学的性質

融点: 159 °C · 159 °C
沸点: 407.06 °C · 407.06°C (rough estimate)
比重(密度): 1.1724 · 1.1724 (rough estimate)
屈折率: 1.601 · 1.6010 (estimate)
酸解離定数(Pka): 3.28 · 3.28±0.10(Predicted)
外見: powder to crystal
色: Orange to Amber to Dark red

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 38 reports by companies from 1 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

rtecs: BX5060000
hs_code: 2927.00.5000

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化合物ノート

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