3-클로로-5,5-다이메틸-2-사이클로헥센-1-온

3-Chloro-5,5-dimethyl-2-cyclohexen-1-one

HCID 140243

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 17530-69-7
표준 SMILES: CC1(C)CC(=O)C=C(Cl)C1
InChIKey: PJYTYJGMJDIKEJ-UHFFFAOYSA-N
분자식: C8H11ClO
평균 분자량: 158.62 g/mol
단동위원소 질량: 158.04984265

이름 및 식별자

우선 이름: 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one
IUPAC: 3-chloro-5,5-dimethylcyclohex-2-en-1-one
현지명: 3-클로로-5,5-다이메틸-2-사이클로헥센-1-온
영어명: 3-CHLORO-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE
분자식: C8H11ClO
분자량: 158.63

이름 및 동의어

17530-69-73-Chloro-5,5-dimethyl-2-cyclohexen-1-one3-Chloro-5,5-dimethylcyclohex-2-enone2-Cyclohexen-1-one, 3-chloro-5,5-dimethyl-UNII-E73W928G5OE73W928G5O3-Chloro-5,5-dimethyl-2-cyclohexenone5,5-Dimethyl-3-chlorocyclohex-2-enoneDTXSID201699665,5-Dimethyl-3-chloro-2-cyclohexen-1-one3-CHLORO-5,5-DIMETHYLCYCLOHEX-2-ENE-1-ONERefChem:93453

이름 더 보기

3-클로로-5,5-다이메틸-2-사이클로헥센-1-온NISTC17530697LABOTEST-BB LT011476003-chloro-5,5-dimethyl-1-cyclohex-2-enone3-Chloro-5,5-dimethy1-2-cyclohexen-1-one

DTXCID0092457PJYTYJGMJDIKEJ-UHFFFAOYSA-N3-chloro-5,5-dimethylcyclohex-2-en-1-oneMFCD00051620SCHEMBL1515964SBB058429XH0967AKOS002675787

데이터베이스 식별자

CAS: 17530-69-7
PubChem CID: 140243
DTXSID: DTXSID20169966
UNII: E73W928G5O
EC Number: 681-598-6
Nikkaji: J578.830G

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: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 191

물리화학적 성질

끓는 점: 44 · 44-46°C 0,1mm
밀도: 1 · 1,084 g/cm3
인화점: 44 · 44-46°C/0.1mm
저장 조건: Sealed in dry,Room Temperature
BRN: 1099253 · 1099253

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

안전 데이터

HS 번호: 2914290090
risk_code: 36/37/38
safety_code: 26-37/39

화학 및 산업

상·하류 제품 정보

상류 원료

2-Cyclohexen-1-one, 5,5-dimethyl-3-[(methylsulfonyl)oxy]-1,3-Cyclohexanedione, 2,2'-thiobis[5,5-dimethyl-2-Cyclohexen-1-one, 3,3'-oxybis[5,5-dimethyl-5',5',6,6-tetramethylspiro[5,7-dihydro-1,3-benzoxathiole-2,2'-cyclohexane]-1',3',4-trione 디메돈 2-cyclohexen-1-one, 5,5-dimethyl-3-[(4-methylphenyl)amino]1,1-디메틸-4-클로로-3,5-시클로헥산디온 5,5-디메틸-1,3-사이클로헥사디온 클로로포름 염화옥살릴

공급사42 곳

山东玖玥生物科技有限公司15553333686

国药集团化学试剂有限公司86-21-63210123 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

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