Benzenamine, 4-(phenylmethyl)-

HCID 136914CAS 1135-12-2

기본 정보

표준 SMILES: Nc1ccc(Cc2ccccc2)cc1
InChIKey: WDTRNCFZFQIWLM-UHFFFAOYSA-N
분자식: C13H13N
평균 분자량: 183.25 g/mol
단동위원소 질량: 183.10479942

이름 및 식별자

우선 이름: Benzenamine, 4-(phenylmethyl)-
IUPAC: 4-benzylaniline
영어명: 4-BENZYLANILINE
분자식: C13H13N
분자량: 183.25

이름 및 동의어

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

이름 더 보기

4-Benzylaniline 98%TIMTEC-BB SBB010088P-AMINODIPHENYL METHANE4-Aminodiphenylmethane >4-AMINODIPHENYLMETHANE 95+%BenzenaMine,4-(phenylMethyl)-

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 153

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 35 · 35-38 °C(lit.)
끓는 점: 142 · 142-144°C 1mm
밀도: 1.038 · 1.0380
굴절률: 1.6118 · 1.6118 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 2.17 · 2.17(at 25℃)
색상: 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

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

안전 데이터

wgk: 3
HS 번호: 2921490090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도4-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]

일반 설명4-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.