기본 정보
- 표준 SMILES
ClCCCCBr- InChIKey
NIDSRGCVYOEDFW-UHFFFAOYSA-N- 분자식
- C4H8BrCl
- 평균 분자량
- 171.46 g/mol
- 단동위원소 질량
- 169.94979
이름 및 식별자
- 우선 이름
- 1-Bromo-4-chlorobutane
- IUPAC
- 1-bromo-4-chlorobutane
- 현지명
- 테트라메틸렌클로로브로마이드
- 영어명
- 1-Bromo-4-chlorobutane
- 분자식
- C4H8BrCl
- 분자량
- 171.46
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
6940-78-9- PubChem CID
- 81364
- DTXSID
DTXSID1049350- ChEMBL
CHEMBL350215- UNII
- 3WY7Z6MQN8
- EC Number
- 230-089-3
- Nikkaji
- J29.159E
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
- 3
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 23
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 96 · 96-97 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
- 끓는 점
- 80 · 80-82 °C/30 mmHg (lit.)
- 밀도
- 1.488 g/mL · 1.488 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.4875(lit.)
- 인화점
- 140 °F · 140 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 액체
- 색상
- 투명한
- 수용성
- 약간 용해됨
- BRN
- 1098275 · 1098275
- InChI
- 1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2
- InChIKey
- NIDSRGCVYOEDFW-UHFFFAOYSA-N
- SMILES
- ClCCCCBr
- NIST
- 1 · Butane, 1-bromo-4-chloro-(6940-78-9)
- EPA
- 1 · Butane, 1-bromo-4-chloro- (6940-78-9)
화학적 성질
clear liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (1 of 60) of reports.
Warning
H226 (88.3%): Flammable liquid and vapor [Warning Flammable liquids];H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (21.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (21.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (20%): 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 60 reports by companies from 12 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 60 reports by companies.;There are 11 notifications provided by 59 of 60 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
Status: Active Update: 03-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22305
1-Bromo-4-chlorobutane: Does not have an individual approval but may be used under an appropriate group standard
규제 정보
Regulatory Information
Status: Active Update: 03-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22305
1-Bromo-4-chlorobutane: 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
- 29034980
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-24/25-37/39-26
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-03632
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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