4-アミノジフェニルメタン

Benzenamine, 4-(phenylmethyl)-

HCID 136914

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基本情報

CAS: 1135-12-2
標準SMILES: Nc1ccc(Cc2ccccc2)cc1
InChIKey: WDTRNCFZFQIWLM-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: Benzenamine, 4-(phenylmethyl)-
IUPAC: 4-benzylaniline
現地名: 4-アミノジフェニルメタン
英語名: 4-BENZYLANILINE
分子式: C13H13N
分子量: 183.25

名称と別名

1135-12-24-AminodiphenylmethaneBenzenamine, 4-(phenylmethyl)-DTXSID50150423RefChem:561868DTXCID2072914672-757-04-Benzylaniline4-benzylbenzenamineMFCD000478614-(phenylmethyl)aniline4-Benzylaniline, 97%

名称をさらに表示

4-アミノジフェニルメタン4-ベンジルアニリン4-Benzylaniline 98%TIMTEC-BB SBB010088P-AMINODIPHENYL METHANE4-Aminodiphenylmethane >4-AMINODIPHENYLMETHANE 95+%BenzenaMine,4-(phenylMethyl)-

SCHEMBL202238HMS1675O074-benzylphenylamine4-Benzyl-phenylamineTS-02558Z10699802544-BENZYLANILINE, HCLp-benzylaniline

データベース識別子

CAS: 1135-12-2
PubChem CID: 136914
DTXSID: DTXSID50150423
EC Number: 672-757-0
Nikkaji: J533.996K

物性

構造計算による物性

XLogP: 3.2
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: 153

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点: 35 · 35-38 °C(lit.)
沸点: 142 · 142-144°C 1mm
比重(密度): 1.038 · 1.0380
屈折率: 1.6118 · 1.6118 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: soluble in Methanol
外見: powder to lump to clear liquid
酸解離定数(Pka): 2.17 · 2.17(at 25℃)
色: White or colorless to Amber to Dark green
BRN: 2208463 · 2208463
InChI: InChI=1S/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H2
InChIKey: WDTRNCFZFQIWLM-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(CC2=CC=CC=C2)C=C1
CAS データベース: 1135 · 1135-12-2(CAS DataBase Reference)

化学的性質

化学的特性Yellow Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (12.5%): 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 8 reports by companies from 4 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 (12.5%)

安全データ

wgk: 3
hs_code: 2921490090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用4-Benzylaniline (4-Aminodiphenylmethane) can be used to synthesize:2-amino-6-benzylbenzothiazole (SKA-7)ethyl 2-((4-benzylphenylamino)methylen)-malonatebis(4-benzylphenyl)-urea3:5-dibromo-4-aminodiphenylmethane via treatment with bromine solution3:5-di-iodo-4-aminodiphenylmethane via iodination reaction by using a suitable iodinating reagent[sodium iodate + potassium iodide]

一般的な説明4-Benzylaniline (4-BA) undergoes hydrochlorination in the presence of HCl to yield 4-benzylaniline hydrochloride. Crystals of 4-BA exhibit monoclinic crystal system and space group P21/c.