2-(ジメチルアミノ)ベンズアルデヒド

Benzaldehyde, (dimethylamino)-

HCID 34289

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 28602-27-9
標準SMILES: CN(C)c1ccccc1C=O
InChIKey: DGPBVJWCIDNDPN-UHFFFAOYSA-N
分子式: C9H11NO
平均分子量: 149.19 g/mol
単同位体質量: 149.08406397

名称と識別子

優先名称: Benzaldehyde, (dimethylamino)-
IUPAC: 2-(dimethylamino)benzaldehyde
現地名: 2-(ジメチルアミノ)ベンズアルデヒド
英語名: 2-(Dimethylamino)benzaldehyde
分子式: C9H11NO
分子量: 149.19

名称と別名

2-(dimethylamino)benzaldehyde579-72-628602-27-9Benzaldehyde, (dimethylamino)-DTXSID60871859RefChem:561314DTXCID20819474673-055-72-(N,N-Dimethylamino)benzaldehydeMFCD034073772-dimethylaminobenzaldehyde(DIMETHYLAMINO)BENZALDEHYDE

名称をさらに表示

2-(ジメチルアミノ)ベンズアルデヒド2-(N,N-ジメチルアミノ)ベンズアルデヒドO-Dimethylaminobenzaldehyde2-(Dimethylamino)benzaldehyde97%Benzaldehyde, 2-(dimethylamino)-2-(Dimethylamino)benzaldehyde 97%2-(dimethylamino)benzenemethylaldehydeN,N-Dimethyl-2-formylaniline, N,N-Dimethylanthranilaldehyde

dimethylaminobenzaldehyd2-N,N-(Dimethylamino)benzaldehydedimethylamino benzaldehyde2-dimethylamino-benzaldehydeN,N-Dimethylaminobenzaldehydeo-(dimethylamino)benzaldehydeSCHEMBL97296SCHEMBL97297

データベース識別子

CAS: 28602-27-9、579-72-6
PubChem CID: 34289
DTXSID: DTXSID60871859
EC Number: 673-055-7
Nikkaji: J76.655K

物性

構造計算による物性

XLogP: 1.5
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 134

物理化学的性質

沸点: 115 · 115-120 °C(Press: 5 Torr)
比重(密度): 1.072 · 1.072±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
溶解性: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
外見: liquid
酸解離定数(Pka): 3.8 · 3.80±0.18(Predicted)
色: Clear, light green to yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.