4,4'-Dimethylbenzophenone

HCID 69148CAS 611-97-2

기본 정보

표준 SMILES: Cc1ccc(C(=O)c2ccc(C)cc2)cc1
InChIKey: ZWPWLKXZYNXATK-UHFFFAOYSA-N
분자식: C15H14O
평균 분자량: 210.27 g/mol
단동위원소 질량: 210.10446507

이름 및 식별자

우선 이름: 4,4'-Dimethylbenzophenone
IUPAC: bis(4-methylphenyl)methanone
영어명: 4,4'-Dimethylbenzophenone
분자식: C15H14O
분자량: 210.27

이름 및 동의어

4,4'-DimethylbenzophenoneBis(4-methylphenyl)methanoneDi-p-tolyl ketoneMethanone, bis(4-methylphenyl)-GI3DRY0THD4,4-Dimethylbenzophenonedi-p-tolyl-methanoneUNII-GI3DRY0THDNSC-1807EINECS 210-287-6NSC-371374,4'-dimethyl benzophenone

이름 더 보기

Di-p-tolylmethanoneSKL272Bis-p-tolyl ketone4,4'-DimethylbenzophDi(4-methylphenyl) ketone4,4'-Carbonylbis(toluene)p,p'-Dimethylbenzophenone4,4'-DIMETHYL-BENZOPHENON

BIS(4-TOLYL)METHANONEDTXSID9060603BIS(4-METHYLPHENYL) KETONERefChem:96272DTXCID4042967ZWPWLKXZYNXATK-UHFFFAOYSA-N611-97-2p-Tolyl ketone

데이터베이스 식별자

CAS: 611-97-2
PubChem CID: 69148
DTXSID: DTXSID9060603
ChEMBL: CHEMBL1490173
UNII: GI3DRY0THD
EC Number: 210-287-6
Nikkaji: J136.484G

물성

구조 계산 물성

XLogP: 3.6
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: 206

물리화학적 성질

녹는점: 90 · 90-93 °C(lit.)
끓는 점: 200 °C17 · 200 °C17 mm Hg(lit.)
밀도: 1.0232 · 1.0232 (rough estimate)
굴절률: 1.5361 · 1.5361 (estimate)
인화점: 200 °C/17mm · 200°C/17mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
색상: 옅은 갈색
수용성: 물에 불용성.
BRN: 1240527 · 1240527
InChI: InChI=1S/C15H14O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey: ZWPWLKXZYNXATK-UHFFFAOYSA-N
SMILES: C(C1=CC=C(C)C=C1)(C1=CC=C(C)C=C1)=O
NIST: 4 · 4,4'-Dimethyl benzophenone(611-97-2)
EPA: Methanone, bis(4-methylphenyl)- (611-97-2)