2-Benzylaniline

HCID 119805CAS 28059-64-5

기본 정보

표준 SMILES: Nc1ccccc1Cc1ccccc1
InChIKey: DWOBGCPUQNFAFB-UHFFFAOYSA-N
분자식: C13H13N
평균 분자량: 183.25 g/mol
단동위원소 질량: 183.10479942

이름 및 식별자

우선 이름: 2-Benzylaniline
IUPAC: 2-benzylaniline
영어명: 2-Benzylaniline
분자식: C13H13N
분자량: 183.25

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.9
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: 161

물리화학적 성질

녹는점: 49 · 49-54 °C (lit.)
끓는 점: 172 · 172-173 °C/12 mmHg (lit.)
밀도: 1.065 · 1.0650 (rough estimate)
굴절률: 1.5963 · 1.5963 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 4.29 · 4.29±0.10(Predicted)
색상: 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
NIST: 2 · Benzenamine, 2-(phenylmethyl)-(28059-64-5)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.