4-ブロモ-N,N-ジメチルベンジルアミン臭化物

4-Bromo-N,N-dimethylbenzylamine

HCID 235757

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6274-57-3
標準SMILES: CN(C)Cc1ccc(Br)cc1
InChIKey: RFEDQTSVZVRTGH-UHFFFAOYSA-N
分子式: C9H12BrN
平均分子量: 214.1 g/mol
単同位体質量: 213.01531

名称と識別子

優先名称: 4-Bromo-N,N-dimethylbenzylamine
IUPAC: 1-(4-bromophenyl)-N,N-dimethylmethanamine
現地名: 4-ブロモ-N,N-ジメチルベンジルアミン臭化物
英語名: (4-Bromobenzyl)dimethylamine
分子式: C9H12BrN
分子量: 214.1

名称と別名

4-Bromo-N,N-dimethylbenzylamineRefChem:520403815-955-66274-57-31-(4-bromophenyl)-n,n-dimethylmethanamine(4-BROMOBENZYL)DIMETHYLAMINEBenzenemethanamine, 4-bromo-N,N-dimethyl-[(4-bromophenyl)methyl]dimethylamineMFCD00032473(4-Bromo-benzyl)-dimethyl-amine4-Bromo-N,N-dimethyl-Benzenemethanamine1-(4-bromophenyl)-N,N-dimethyl-methanamine

名称をさらに表示

4-ブロモ-N,N-ジメチルベンジルアミン臭化物(4-ブロモベンジル)ジメチルアミン4-ブロモ-N,N-ジメチルベンジルアミン(4-BROMOBENZYL)DIMETHYLBENZYLAMINE(4-Bromophenyl)-N,N-dimethylmethylamine[(4-bromophenyl)methyl]dimethylamine - [AC78543]

n,n-dimethyl-4-bromobenzylamineNSC374881-(4-Bromophenyl)-N,N-dimethylmethylamine4-bromodimethylbenzylamine4-(N,N-DIMETHYLAMINOMETHYL)BROMOBENZENESCHEMBL399795DTXSID80978379RFEDQTSVZVRTGH-UHFFFAOYSA-N

データベース識別子

CAS: 6274-57-3
PubChem CID: 235757
DTXSID: DTXSID80978379
EC Number: 815-955-6
Nikkaji: J1.319.089E

物性

構造計算による物性

XLogP: 2.4
極性表面積: 3.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 106

物理化学的性質

融点: 165 · 165-167 °C
沸点: 121 · 121-122 °C(Press: 20 Torr)
比重(密度): 1.32 · 1.320±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: liquid
酸解離定数(Pka): 8.56 · 8.56±0.28(Predicted)
色: Clear, colourless

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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, P305+P354+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.