기본 정보
- 표준 SMILES
BrC1CCCC1- InChIKey
BRTFVKHPEHKBQF-UHFFFAOYSA-N- 분자식
- C5H9Br
- 평균 분자량
- 149.03 g/mol
- 단동위원소 질량
- 147.98876239
이름 및 식별자
- 우선 이름
- Bromocyclopentane
- IUPAC
- bromocyclopentane
- 현지명
- 사이클로펜틸브로마이드
- 영어명
- Bromocyclopentane
- 분자식
- C5H9Br
- 분자량
- 149.03
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
137-43-9- PubChem CID
- 8728
- DTXSID
DTXSID9059670- UNII
- QP65Z83BNY
- EC Number
- 205-294-6
- Nikkaji
- J132.737B
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 37.2
실험 및 물리화학적 성질
물리화학적 성질
- 끓는 점
- 137 · 137-139 °C (lit.)
- 밀도
- 1.39 g/mL · 1.39 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.4881(lit.)
- 인화점
- 95 °F · 95 °F
- 저장 조건
- Store at R.T.
- 용해도
- 에 용해됨클로로포름, 아세트산에틸 (약간 용해됨)
- 물리적 상태
- 액체
- Specific Gravity
- 1.39 · 1.39
- 색상
- 맑은 노란색에서 연한 갈색까지
- 수용성
- 물과 섞이지 않습니다.
- BRN
- 1209256 · 1209256
- 안정성
- 안정적인. 가연성. 강한 산화제, 강한 염기와 호환되지 않습니다.
- InChI
- 1S/C5H9Br/c6-5-3-1-2-4-5/h5H,1-4H2
- InChIKey
- BRTFVKHPEHKBQF-UHFFFAOYSA-N
- SMILES
- BrC1CCCC1
- LogP
- 2.745 · 2.745 (est)
- NIST
- Cyclopentane, bromo-(137-43-9)
- EPA
- Cyclopentane, bromo- (137-43-9)
화학적 성질
Bromocyclopentane is a colorless to light yellow liquid at standard temperature and pressure.It has an aroma similar to camphor. It turns brown after a long time. Soluble in ethanol, ether, insoluble in water. Halocyclopentanes can be prepared by reacting the corresponding alcohols with thionyl halides, phosphorus trihalides or hydrohalic acids.
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (98.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 82 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Cyclopentane, bromo-
Status: Active Update: 12-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/15852
Bromocyclopentane: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29035990
- risk_code
- 10
- safety_code
- 23-24/25-16
- 포장분류
- III
- 위험 등급
- 3
- F 고인화성물질
- 8
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
용도Bromocyclopentane is a precursor used in the preparation of cyclopentene and cyclopentanol. It is a fatty bromide, which is used as a solvent. It is used as an intermediate for the preparation of surfactant and pharmaceuticals and other organic compounds. It is also used in the production of the medicine cyclopentathiazide.
제조 방법
Bromocyclopentane is synthesized by bromination of cyclopentanol: cyclopentanol is mixed with hydrobromic acid and heated to about 170°C refluxed for 6-8h. Then distilled with water steam, the oil layer is washed with 5% sodium carbonate, then dried, filtered, fractionated and collected 136-139°C fraction is the finished product. Another method is by the reaction of cyclopentanol and phosphorus tribromide: the cyclopentanol is cooled to 0 ℃, add the newly evaporated phosphorus tribromide drop by drop, add it all at 0-5 ℃, stir for 2h, and leave it at room temperature overnight. Add water and stratify, take the oil layer water distillation. Distillate stratification, the oil layer was washed with 10% sodium bicarbonate solution, dried with anhydrous calcium chloride, filtration, filtrate distillation, collect 134-141 ℃ fraction that is bromocyclopentane.
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