기본 정보
- 표준 SMILES
BrC1CC1- InChIKey
LKXYJYDRLBPHRS-UHFFFAOYSA-N- 분자식
- C3H5Br
- 평균 분자량
- 120.98 g/mol
- 단동위원소 질량
- 119.95746226
이름 및 식별자
- 우선 이름
- Bromocyclopropane
- IUPAC
- bromocyclopropane
- 현지명
- 브로모시클로프로판
- 영어명
- Cyclopropyl bromide
- 분자식
- C3H5Br
- 분자량
- 120.98
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
4333-56-6- PubChem CID
- 78037
- DTXSID
DTXSID8063418- EC Number
- 224-375-7
- Nikkaji
- J150.689G
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 4
- 형식 전하
- 0
- 복잡도
- 22.5
실험 및 물리화학적 성질
물리화학적 성질
- 끓는 점
- 69 °C · 69 °C (lit.)
- 밀도
- 1.51 g/mL · 1.51 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.458(lit.)
- 인화점
- 20 °F · 20 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- Specific Gravity
- 1.51 · 1.510
- 색상
- 무색의
- 수용성
- 섞일 수 없음
- BRN
- 1900287 · 1900287
- InChI
- InChI=1S/C3H5Br/c4-3-1-2-3/h3H,1-2H2
- InChIKey
- LKXYJYDRLBPHRS-UHFFFAOYSA-N
- SMILES
- C1(Br)CC1
- NIST
- Cyclopropyl bromide(4333-56-6)
- EPA
- Cyclopropane, bromo- (4333-56-6)
화학적 성질
Light yellow to clear colourless liquid, boiling point 67-69°C, refractive index (nD20) 1.4605, density (d420) 1.5120, flash point -6°C.
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- HS 번호
- 29035990
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36-37/39
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- KE-09321
- F 고인화성물질
- 8-19
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
개요Cyclopropyl bromide is also named as Bromocyclopropane. It is used in organic synthesis, for instance, for the formation of a Grignard Reagent, cyclopropyllithium. It is also used as an intermediate in the manufacture of pharmaceutical and agrochemical products.
용도Bromocyclopropane is primarily used an intermediate in the manufacture of pharmaceutical and agrochemical products. It is also used in the production of cyclopropyl boric acid. It is used as an intermediate in organic synethesis.
제조 방법
Bromocyclopropane has been prepared by the Hunsdiecker reaction by adding silver cyclopropanecarboxylate to bromine in dichlorodifluoromethane at 29° (53% yield) or in tetrachloroethane at 20° to 25° (15–20% yield). Decomposition of the peroxide of cyclopropanecarboxylic acid in the presence of carbon tetrabromide gave bromocyclopropane in 43% yield. An attempt to prepare the bromide via the von Braun reaction was unsuccessful. Ten percent yields are reported for the photobromination of cyclopropane and the photochemical rearrangement of allyl bromide. Treatment of 1,1,3-tribromopropane with methyllithium prepared from methyl bromide furnishes a 60–65% yield of bromocyclopropane.
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