3-Chlorobenzophenone

HCID 66098CAS 1016-78-0

기본 정보

표준 SMILES: O=C(c1ccccc1)c1cccc(Cl)c1
InChIKey: CPLWKNRPZVNELG-UHFFFAOYSA-N
분자식: C13H9ClO
평균 분자량: 216.66 g/mol
단동위원소 질량: 216.03419259

이름 및 식별자

우선 이름: 3-Chlorobenzophenone
IUPAC: (3-chlorophenyl)-phenylmethanone
영어명: 3-Chlorobenzophenone
분자식: C13H9ClO
분자량: 216.66

이름 및 동의어

3-Chlorobenzophenone1016-78-0EINECS 213-809-0Methanone, (3-chlorophenyl)pheny-NSC 5456RefChem:500464213-809-0(3-Chlorophenyl)(phenyl)methanoneMethanone, (3-chlorophenyl)phenyl-(3-chlorophenyl)-phenylmethanoneBenzophenone, 3-chloro-m-Chlorobenzophenone

이름 더 보기

3-chlroobenzophenoneCetirizine Impurity SLABOTEST-BB LT00159867Cloperastine Impurity 23-Chlorobenzophenone >3-CHLOROBENZOPHENONE 97%

MFCD00009816NSC5456Cetirizine Impurity 19NSC-54563-chlorophenyl phenyl ketoneDTXSID70906388SY040609SR-01000636354-1

데이터베이스 식별자

CAS: 1016-78-0
PubChem CID: 66098
DTXSID: DTXSID70906388
UNII: 8C4FG3W6RF
EC Number: 213-809-0
Nikkaji: J120.265K

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 221

물리화학적 성질

녹는점: 85 · 85-87 °C(lit.)
끓는 점: 332 °C · 332°C(lit.)
밀도: 1.1459 · 1.1459 (rough estimate)
굴절률: 1.526 · 1.5260 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 1869822 · 1869822
InChI: InChI=1S/C13H9ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
InChIKey: CPLWKNRPZVNELG-UHFFFAOYSA-N
SMILES: C(C1=CC=CC(Cl)=C1)(C1=CC=CC=C1)=O
NIST: Methanone, (3-chlorophenyl)phenyl-(1016-78-0)
EPA: 3 · 3-Chlorobenzophenone (1016-78-0)

화학적 성질

WHITE TO OFF-WHITE AMORPHOUS POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.