4-시아노-4-페닐클로헥사논

4-Oxo-1-phenylcyclohexanenitrile

HCID 91282

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 25115-74-6
표준 SMILES: N#CC1(c2ccccc2)CCC(=O)CC1
InChIKey: GKXOABVSZWCJJK-UHFFFAOYSA-N
분자식: C13H13NO
평균 분자량: 199.25 g/mol
단동위원소 질량: 199.09971404

이름 및 식별자

우선 이름: 4-Oxo-1-phenylcyclohexanenitrile
IUPAC: 4-oxo-1-phenylcyclohexane-1-carbonitrile
현지명: 4-시아노-4-페닐클로헥사논
영어명: 4-Cyano-4-phenylcyclohexanone
분자식: C13H13NO
분자량: 199.25

이름 및 동의어

25115-74-64-Oxo-1-phenylcyclohexanecarbonitrile4-Oxo-1-phenylcyclohexanenitrileDTXSID80179804EINECS 246-631-7RefChem:526128DTXCID00102295246-631-74-Cyano-4-phenylcyclohexanone4-oxo-1-phenylcyclohexane-1-carbonitrileCyclohexanecarbonitrile, 4-oxo-1-phenyl-MFCD00044816

이름 더 보기

4-시아노-4-페닐클로헥사논TIMTEC-BB SBB008596LevocabastineImpurity44-CYANO-4-PHENYLCYCLOHEXANONE 97%4-cyano-4-phenylcyclohexanone-98%4-Cyano-4-phenylcyclohexanone,97%1-Phenyl-4-oxocyclohexanecarbonitrile4-Cyano-4-phenylcyclohexanone, 97% 25GR

4-cyano-4-phenyl-cyclohexanone4-cyano-4phenylcyclohexanoneSCHEMBL735798HMS1779L01CS-W0105074-oxo-1-phenyl-1-cyclohexanecarbonitrileAS-381964-oxo-1-phenyl-cyclohexanecarbonitrile

데이터베이스 식별자

CAS: 25115-74-6
PubChem CID: 91282
DTXSID: DTXSID80179804
EC Number: 246-631-7
Nikkaji: J236.058F

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 40.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 283

물리화학적 성질

녹는점: 114 · 114-119 °C
끓는 점: 336.78 °C · 336.78°C (rough estimate)
밀도: 1.0671 · 1.0671 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정질 고체
색상: 흰색에서 베이지색
BRN: 2645593 · 2645593

화학적 성질

WHITE TO BEIGE CRYSTALLINE SOLID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.