3-페닐사이클로헥스-2-엔-1-온

2-Cyclohexen-1-one, 3-phenyl-

HCID 82567CAS 10345-87-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1C=C(c2ccccc2)CCC1
InChIKey: DIELDZAPFMXAHA-UHFFFAOYSA-N
분자식: C12H12O
평균 분자량: 172.22 g/mol
단동위원소 질량: 172.088815

이름 및 식별자

우선 이름: 2-Cyclohexen-1-one, 3-phenyl-
IUPAC: 3-phenylcyclohex-2-en-1-one
현지명: 3-페닐사이클로헥스-2-엔-1-온
영어명: 3-phenylcyclohex-2-en-1-one
분자식: C12H12O
분자량: 172.22

이름 및 동의어

10345-87-63-Phenylcyclohex-2-en-1-one3-Phenyl-2-cyclohexen-1-one2-Cyclohexen-1-one, 3-phenyl-1-Phenylcyclohexen-3-oneEINECS 233-755-1NSC 63067DTXSID2065044RefChem:470860DTXCID1032808233-755-13-Phenyl-2-cyclohexenone

이름 더 보기

3-페닐사이클로헥스-2-엔-1-온1-Phenyl-1-cyclohexen-3-one3-Phenyl-2-cyclohexene-1-one

5,6-Dihydro[1,1'-biphenyl]-3(4H)-one5,6-Dihydro-[1,1'-biphenyl]-3(4H)-oneMFCD000295153-phenylcyclohex-2-enoneCHEMBL503170NSC-63067SMR000477876NSC63067

데이터베이스 식별자

CAS: 10345-87-6
PubChem CID: 82567
DTXSID: DTXSID2065044
ChEMBL: CHEMBL503170
UNII: WRW3EDX5ZE
EC Number: 233-755-1
Nikkaji: J81.496B

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 221

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 64 · 64-65℃
끓는 점: 282 ℃ · 282℃
밀도: 1.087 · 1.087
인화점: 114 ℃ · 114℃
EPA: 2 · 2-Cyclohexen-1-one, 3-phenyl- (10345-87-6)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: 2-Cyclohexen-1-one, 3-phenyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing Information2-Cyclohexen-1-one, 3-phenyl-: INACTIVE

응용 분야

용도3-Phenyl-2-cyclohexen-1-one is an intermediate used to prepare niacin receptor agonists for the treatment of dyslipidemia. It is also used in the synthesis of inhibitors for urinary bladder rhythmic contraction.