기본 정보
- 표준 SMILES
BrCCCCOc1ccccc1- InChIKey
QBLISOIWPZSVIK-UHFFFAOYSA-N- 분자식
- C10H13BrO
- 평균 분자량
- 229.11 g/mol
- 단동위원소 질량
- 228.01497714
이름 및 식별자
- 우선 이름
- (4-Bromobutoxy)benzene
- IUPAC
- 4-bromobutoxybenzene
- 현지명
- 4-페녹시부틸브로마이드
- 영어명
- 4-Phenoxybutyl bromide
- 분자식
- C10H13BrO
- 분자량
- 229.11
이름 및 동의어
(4-Bromobutoxy)benzene1200-03-94-Phenoxybutyl bromide4-Bromobutyl phenyl ether4-bromobutoxybenzeneBenzene, (4-bromobutoxy)-1-Bromo-4-phenoxybutanePhenoxybutyl bromideY5HC635AAUEINECS 214-849-1NSC-17155Ether, 4-bromobutyl phenyl
이름 더 보기
4-페녹시부틸브로마이드1-Bromo-4(4-Bromobutoxy)4-Phenoxyethylbromide-Phenoxy-4-bromobutane4-Bromo-1-phenoxybutane
DTXSID90152648NSC 17155RefChem:69464DTXCID7075139QBLISOIWPZSVIK-UHFFFAOYSA-NMFCD000002621-Brom-4-phenoxybutan4-phenoxy-1-bromobutane
데이터베이스 식별자
- CAS
1200-03-9- PubChem CID
- 70986
- DTXSID
DTXSID90152648- UNII
- Y5HC635AAU
- EC Number
- 214-849-1
- Nikkaji
- J217.042F
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 100
물리화학적 성질
- 녹는점
- 41 · 41-43 °C(lit.)
- 끓는 점
- 153 · 153-156 °C18 mm Hg(lit.)
- 밀도
- 1.3236 · 1.3236 (rough estimate)
- 굴절률
- 1.531 · 1.5310 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to lump
- 색상
- 흰색에서 거의 흰색
- 수용성
- 물에 불용성.
- BRN
- 2044374 · 2044374
- InChI
- InChI=1S/C10H13BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
- InChIKey
- QBLISOIWPZSVIK-UHFFFAOYSA-N
- SMILES
- C1(OCCCCBr)=CC=CC=C1
- NIST
- Benzene, (4-bromobutoxy)-(1200-03-9)
- EPA
- Benzene, (4-bromobutoxy)- (1200-03-9)
화학적 성질
OFF-WHITE CRYSTALLINE MASS
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Benzene, (4-bromobutoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (4-bromobutoxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29093038
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
용도 및 제조
U.S. Production2022: 1,764 lb
General Manufacturing InformationBenzene, (4-bromobutoxy)-: ACTIVE
응용 분야
용도(4-Bromobutoxy)benzene is used to produce 5-phenoxy-valeric acid with carbon dioxide and reagent Mg.
상·하류 제품 정보
상류 원료
하류 제품
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