기본 정보
- 표준 SMILES
BrCC1CC1- InChIKey
AEILLAXRDHDKDY-UHFFFAOYSA-N- 분자식
- C4H7Br
- 평균 분자량
- 135 g/mol
- 단동위원소 질량
- 133.97311
이름 및 식별자
- 우선 이름
- Bromomethylcyclopropane
- IUPAC
- bromomethylcyclopropane
- 영어명
- (Bromomethyl)cyclopropane
- 분자식
- C4H7Br
- 분자량
- 135
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
7051-34-5- PubChem CID
- 81503
- DTXSID
DTXSID40220785- UNII
- D8ZPP7X54B
- EC Number
- 230-331-8
- Nikkaji
- J23.250E
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 30
물리화학적 성질
- 녹는점
- 87 · 87-90 °C
- 끓는 점
- 105 · 105-107 °C(lit.)
- 밀도
- 1.392 g/mL · 1.392 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.457(lit.)
- 인화점
- 107 °F · 107 °F
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- Specific Gravity
- 1.392 · 1.392
- 색상
- 무색, 투명 또는 약간 착색됨
- 수용성
- 물과 섞이지 않습니다.
- BRN
- 605296 · 605296
- 안정성
- 안정적인. 가연성. 강염기, 강산화제와 호환되지 않습니다.
- InChI
- 1S/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2
- InChIKey
- AEILLAXRDHDKDY-UHFFFAOYSA-N
- SMILES
- BrCC1CC1
- NIST
- Cyclopropane, (bromomethyl)-(7051-34-5)
화학적 성질
Colorless to yellow liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 182) of reports.
Danger
H225 (57.1%): Highly Flammable liquid and vapor [Danger Flammable liquids];H226 (42.3%): Flammable liquid and vapor [Warning Flammable liquids];H302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (69.8%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (69.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (68.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 182 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 182 reports by companies.;There are 15 notifications provided by 181 of 182 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: Cyclopropane, (bromomethyl)-
Status: Active Update: 06-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21443
Bromomethyl-cyclopropane: Does not have an individual approval but may be used under an appropriate group standard
규제 정보
Regulatory Information
Chemical: Cyclopropane, (bromomethyl)-
Status: Active Update: 06-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21443
Bromomethyl-cyclopropane: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29035990
- risk_code
- 10-36/37/38-22
- hazard_code
- Xi,F,Xn
- safety_code
- 23-24/25-37/39-26-16-36/37/39
- 포장분류
- III
- 위험 등급
- 3
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도(Bromomethyl)cyclopropane was used as a synthetic building block for the introduction of the cyclopropylmethyl group. It was also used in the synthesis of 1,4-dienes via iron-catalyzed cross-coupling with alkenyl Grignard reagents.
일반 설명The coupling reaction of (bromomethyl)cyclopropane with phenylmagnesium bromide was studied.
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