기본 정보
- 표준 SMILES
BrC1CCCCC1- InChIKey
AQNQQHJNRPDOQV-UHFFFAOYSA-N- 분자식
- C6H11Br
- 평균 분자량
- 163.06 g/mol
- 단동위원소 질량
- 162.00441
이름 및 식별자
- 우선 이름
- Cyclohexyl bromide
- IUPAC
- bromocyclohexane
- 현지명
- 브로모사이클로헥산
- 영어명
- Bromocyclohexane
- 분자식
- C6H11Br
- 분자량
- 163.06
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
108-85-0- PubChem CID
- 7960
- DTXSID
DTXSID1044148- UNII
- YA0UMS4RNY
- EC Number
- 203-622-2
- Nikkaji
- J5.082B
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 46
실험 및 물리화학적 성질
Kovats Retention Index
969;969;1023;970.2;969;969;975
984;1009;1009;1023
1303;1303;1288
물리화학적 성질
- 녹는점
- -57 °C · -57°C
- 끓는 점
- 166 · 166-167 °C (lit.)
- 밀도
- 1.324 g/mL · 1.324 g/mL at 25 °C (lit.)
- 증기 밀도
- 5.62 · 5.62 (vs air)
- 굴절률
- 20 · n20/D 1.495(lit.)
- 인화점
- 145 °F · 145 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 에탄올, 에테르, 아세톤, 벤젠 및 사염화탄소와 혼합 가능합니다.
- 물리적 상태
- 액체
- Specific Gravity
- 1.33 · approximate 1.33 (20℃)
- 색상
- 무색투명~연황색
- 냄새
- 불쾌한 냄새
- 수용성
- 불용성
- Merck
- 14 · 14,2730
- BRN
- 1098373 · 1098373
- Henry's Law Constant
- 7 · 7.0×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- Dielectric constant
- 7.9 · 7.9(25℃)
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제, 강한 염기와 호환되지 않습니다.
- InChI
- 1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
- InChIKey
- AQNQQHJNRPDOQV-UHFFFAOYSA-N
- SMILES
- BrC1CCCCC1
- NIST
- Cyclohexane, bromo-(108-85-0)
- EPA
- Cyclohexane, bromo- (108-85-0)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.
Warning
H227 (11.1%): Combustible liquid [Warning Flammable liquids];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (22.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 9 reports by companies.;There are 4 notifications provided by 7 of 9 reports by companies with hazard statement code(s).;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
Regulatory Information
Chemical: Cyclohexane, bromo-
Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17906
Cyclohexane, bromo-: Does not have an individual approval but may be used under an appropriate group standard
규제 정보
Regulatory Information
Chemical: Cyclohexane, bromo-
Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17906
Cyclohexane, bromo-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GU7171700
- HS 번호
- 29035990
- risk_code
- 36/37/38-20-18-52
- hazard_code
- Xn
- safety_code
- 23-24/25-37/39-26
- 기존화학 물질
- KE-09221
- F 고인화성물질
- 8
- Hazard Classifications
- Aquatic Chronic 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
응용 분야
용도Bromocyclohexane has been used to study the ionization of equatorial and axial conformational isomers of the chair-bromocyclohexane using vacuum ultraviolet mass-analyzed threshold ionization spectroscopy.
일반 설명Axial conformer of bromocyclohexane forms inclusion complexes with 9,9′-bianthryl and exhibits a weak 1,3 diaxial Cl...H interaction. It participates in the alkylation reaction of of para-xylene in the presence of graphite as catalyst to yield hydrocarbon.
제조 방법
Bromocyclohexane is synthesized by the reaction of cycloethanol and hydrobromic acid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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