기본 정보
- CAS
822-85-5- 표준 SMILES
O=C1CCCCC1Br- InChIKey
KDXYEWRAWRZXFT-UHFFFAOYSA-N- 분자식
- C6H9BrO
- 평균 분자량
- 177.04 g/mol
- 단동위원소 질량
- 175.98368
이름 및 식별자
- 우선 이름
- 2-Bromocyclohexanone
- IUPAC
- 2-bromocyclohexan-1-one
- 현지명
- 2-브로모-사이클로헥사논
- 영어명
- 2-Bromo-cyclohexanone
- 분자식
- C6H9BrO
- 분자량
- 177.04
이름 및 동의어
2-bromocyclohexanone822-85-5DTXSID30472791RefChem:85860DTXCID104236052-Bromocyclohexan-1-one2-BROMO-CYCLOHEXANONEMFCD09033417cyclohexanone, 2-bromo-Bromocyclohexanone2-bromo-1-cyclohexanone2-bromo-cyclohexan-1-one
이름 더 보기
2-브로모-사이클로헥사논2-Bromocyclohexanone,>98%2-Bromocyclohexanone (±)-form2-BroMocyclohexanone >=90% (GC)2-BROMO-CYCLOHEXANONE 95 % GC, 95%TIANFUCHEM--822-85-5--2-BROMO-CYCLOHEXANONE in stock2-Bromocyclohexan-1-one (stabilized with HQ + CaCO3)
2-bromanylcyclohexan-1-oneA840293SCHEMBL9180552-Bromocyclohexanone, tech gradeKDXYEWRAWRZXFT-UHFFFAOYSA-N2-Bromocyclohexanone, >=90% (GC)AKOS011021079AS-38659
데이터베이스 식별자
- CAS
822-85-5- PubChem CID
- 11789758
- DTXSID
DTXSID30472791- EC Number
- 624-808-3
- Nikkaji
- J265.923I
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 101
물리화학적 성질
- 끓는 점
- 89 · 89-90 °C(Press: 14 Torr)
- 밀도
- 1.34 · 1.3400
- 굴절률
- 1.516 · 1.516
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- liquid
- BRN
- 1071730 · 1071730
- InChI
- InChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
- InChIKey
- KDXYEWRAWRZXFT-UHFFFAOYSA-N
- SMILES
- C1(=O)CCCCC1Br
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1 (97.6%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3334
- HS 번호
- 2914790090
- risk_code
- 36/37/38-43
- hazard_code
- Xi
- safety_code
- 26-36/37
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
공급사100 곳
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