2-ベンジルアニリン

2-Benzylaniline

HCID 119805

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 28059-64-5
標準SMILES: Nc1ccccc1Cc1ccccc1
InChIKey: DWOBGCPUQNFAFB-UHFFFAOYSA-N
分子式: C13H13N
平均分子量: 183.25 g/mol
単同位体質量: 183.10479942

名称と識別子

優先名称: 2-Benzylaniline
IUPAC: 2-benzylaniline
現地名: 2-ベンジルアニリン
英語名: 2-Benzylaniline
分子式: C13H13N
分子量: 183.25

名称と別名

2-Benzylaniline28059-64-5EINECS 248-806-3DTXSID40182339RefChem:465679DTXCID00104830248-806-32-AminodiphenylmethaneBenzenamine, 2-(phenylmethyl)-MFCD00007750o-AminodiphenylmethaneEN300-20540

名称をさらに表示

2-(フェニルメチル)ベンゼンアミン2-ベンジルフェニルアミン2-ベンジルアニリン2-アミノジフェニルメタンo-ベンジルアニリン2-ベンジルベンゼンアミン2-BENZYLANILINE, 99+%Epinastine Impurity 492-Aminodiphenylmethane >o-Toluidine, alpha-phenyl-

2-(phenylmethyl)benzenamine2-benzylphenylamineo-Benzylaniline2-(Phenylmethyl)benzenamine; (2-Aminophenyl)phenylmethane; 2-Benzylbenzenamine; o-Aminodiphenylmethane; o-Benzylaniline2-Benzyl-phenylamine2-Amino-diphenylmethanalpha-phenyl-o-toluidinealpha-phenyl-0-toluidine

データベース識別子

CAS: 28059-64-5
PubChem CID: 119805
DTXSID: DTXSID40182339
UNII: PT93VKW7R3
EC Number: 248-806-3
Nikkaji: J250.640H

物性

構造計算による物性

XLogP: 2.9
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 161

物理化学的性質

融点: 49 · 49-54 °C (lit.)
沸点: 172 · 172-173 °C/12 mmHg (lit.)
比重(密度): 1.065 · 1.0650 (rough estimate)
屈折率: 1.5963 · 1.5963 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 4.29 · 4.29±0.10(Predicted)
色: White to Light yellow to Light orange
BRN: 2803264 · 2803264
InChI: InChI=1S/C13H13N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10,14H2
InChIKey: DWOBGCPUQNFAFB-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC=C1CC1=CC=CC=C1
CAS データベース: 28059 · 28059-64-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzenamine, 2-(phenylmethyl)-(28059-64-5)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.