O,P''-디클로로벤조페논

2,4'-Dichlorobenzophenone

HCID 66558CAS 85-29-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(c1ccc(Cl)cc1)c1ccccc1Cl
InChIKey: YXMYPHLWXBXNFF-UHFFFAOYSA-N
분자식: C13H8Cl2O
평균 분자량: 251.1 g/mol
단동위원소 질량: 249.99522024

이름 및 식별자

우선 이름: 2,4'-Dichlorobenzophenone
IUPAC: (2-chlorophenyl)-(4-chlorophenyl)methanone
현지명: O,P''-디클로로벤조페논
영어명: 2,4'-Dichlorobenzophenone
분자식: C13H8Cl2O
분자량: 251.11

이름 및 동의어

2,4'-Dichlorobenzophenone85-29-0(2-Chlorophenyl)(4-chlorophenyl)methanoneMethanone, (2-chlorophenyl)(4-chlorophenyl)-MFCD00038744(2-chlorophenyl)-(4-chlorophenyl)methanoneBenzophenone, 2,4'-dichloro-o,p-DichlorobenzophenoneNSC 3221o,p'-DichlorobenzophenoneEINECS 201-596-7SCHEMBL2991958

이름 더 보기

2,4P'-디클로로벤조페논O,P''-디클로로벤조페논2,4'-디클로로벤조페논dichlorobenzophenone2,4'-DCBPo,p’-DCBPC13H8Cl2O2,4'-DichlorobenzophLABOTEST-BB LT00455493Bifeprunox Impurity 612,4′-Dichlorbenzophenon2,4'-Dichlorobenzopheone

H3N0V78I65NSC-3221di2-chlorophenyl ketone(2-chlorophenyl)(4-chloro phenyl)methanoneD0230D705962,4 inverted exclamation mark -DichlorobenzophenoneQ27279599

데이터베이스 식별자

CAS: 85-29-0
PubChem CID: 66558
DTXSID: DTXSID6058920
ChEMBL: CHEMBL1862965
UNII: H3N0V78I65
EC Number: 201-596-7
Nikkaji: J37.614K

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 246

실험 및 물리화학적 성질

SpringerMaterials PropertiesFusion temperature

물리화학적 성질

녹는점: 64 °C · 64°C
끓는 점: 214 °C · 214 °C / 22mmHg
밀도: 1.393 · 1.3930
굴절률: 1.5555 · 1.5555 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올(약간)에 용해됨
물리적 상태: 고체
색상: 흰색에서 황백색까지
BRN: 1959090 · 1959090
Henry's Law Constant: 9.2 · 9.2×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C13H8Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H
InChIKey: YXMYPHLWXBXNFF-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1Cl)(C1=CC=C(Cl)C=C1)=O
NIST: 2 · 2,4'-Dichlorobenzophenone(85-29-0)
EPA: Methanone, (2-chlorophenyl)(4-chlorophenyl)- (85-29-0)

화학적 성질

Whitecrystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 88.1% (37 of 42) of all reports.

Warning

H315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Methanone, (2-chlorophenyl)(4-chlorophenyl)-

Methanone, (2-chlorophenyl)(4-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (11.9%)

안전 데이터

tsca: TSCA listed
HS 번호: 29143990
risk_code: 36/37/38-38-37-36
safety_code: 26-36/37/39-37
기존화학 물질: KE-05817

화학 및 산업

용도 및 제조

General Manufacturing InformationMethanone, (2-chlorophenyl)(4-chlorophenyl)-: ACTIVE

응용 분야

용도2,4''-Dichlorobenzophenone is used in the synthesis of triarylcarbinol analogs of fenarimol as potent inhibitors of Trypanosoma cruzi. It can also be used to prepare fatty acid amide hydrolase inhibitors.