2-Amino-4'-chlorobenzophenone

HCID 76166CAS 2894-51-1

기본 정보

표준 SMILES: Nc1ccccc1C(=O)c1ccc(Cl)cc1
InChIKey: APHLSUBLNQBFTM-UHFFFAOYSA-N
분자식: C13H10ClNO
평균 분자량: 231.68 g/mol
단동위원소 질량: 231.04509162

이름 및 식별자

우선 이름: 2-Amino-4'-chlorobenzophenone
IUPAC: (2-aminophenyl)-(4-chlorophenyl)methanone
영어명: 2-Amino-4'-chlorobenzophenone
분자식: C13H10ClNO
분자량: 231.68

이름 및 동의어

2-Amino-4'-chlorobenzophenone2894-51-1EINECS 220-770-3DTXSID2022200RefChem:463962DTXCID602200220-770-3(2-aminophenyl)(4-chlorophenyl)methanoneMethanone, (2-aminophenyl)(4-chlorophenyl)-(2-aminophenyl)-(4-chlorophenyl)methanone2-(4-chlorobenzoyl)anilineMFCD00025193

이름 더 보기

C13H10ClNO(2-Aminophenyl)2-Amino-4'-chlorobenzophenone >2-AMINO-4''-CHLOROBENZOPHENONE 96+%2-Amino-4'-chlorobenzophenone, 98.5%2-AMino-4'-chlorobenzophenone, 98.0%(GC&T(2-azanylphenyl)-(4-chlorophenyl)methanoneCAS2894-51-1 2-Amino-4'-chlorobenzophenone

2-Amino-4'-Chloro Benzophenone4'-chloro-2-aminobenzophenoneAPHLSUBLNQBFTM-UHFFFAOYSA-AKOS009158907SY036440A1244(2-Amino-phenyl)-(4-chloro-phenyl)-methanoneAMY15097

데이터베이스 식별자

CAS: 2894-51-1
PubChem CID: 76166
DTXSID: DTXSID2022200
UNII: 4HA82ZEY3J
EC Number: 220-770-3
Nikkaji: J80.590D

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 248

물리화학적 성질

녹는점: 103 °C · 103°C
끓는 점: 419.8 · 419.8±30.0 °C(Predicted)
밀도: 1.274 · 1.274±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -0.35 · -0.35±0.10(Predicted)
색상: Light yellow to Yellow to Orange
InChI: InChI=1S/C13H10ClNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2
InChIKey: APHLSUBLNQBFTM-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1N)(C1=CC=C(Cl)C=C1)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.