1-브로모펜탄
1-Bromopentane
기본 정보
- CAS
110-53-2- 표준 SMILES
CCCCCBr- InChIKey
YZWKKMVJZFACSU-UHFFFAOYSA-N- 분자식
- C5H11Br
- 평균 분자량
- 151.04 g/mol
- 단동위원소 질량
- 150.00441
개요
1-bromopentane has been reported in Fucus vesiculosus with data available.
이름 및 식별자
- 우선 이름
- 1-Bromopentane
- IUPAC
- 1-bromopentane
- 현지명
- 1-브로모펜탄
- 영어명
- 1-Bromopentane
- 분자식
- C5H11Br
- 분자량
- 151.04
이름 및 동의어
1-BROMOPENTANE110-53-2n-Amyl bromidePentyl bromideAmyl bromiden-Pentyl bromide1-Pentyl bromidePentane, 1-bromo-DTXSID3049203Z2S4R599P0NSC-78951-BPT CPD
이름 더 보기
1-브로모펜탄1-브로모펜테인n-C5H11Br1-bromo-pentan1-Brompentan1-BrompentaneN myl bromide1-Pentylbromid
DTXCID8028474RefChem:75177203-776-0BromopentanePentane, bromo-1-Bromo-pentane29756-38-51-bromo pentane
데이터베이스 식별자
- CAS
110-53-2- PubChem CID
- 8057
- DTXSID
DTXSID3049203- ChEMBL
CHEMBL155850- UNII
- Z2S4R599P0
- EC Number
- 203-776-0
- Nikkaji
- J1.976C
물성
구조 계산 물성
- XLogP
- 3.4
- 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
- 19.9
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Halogenated Aliphatics, Saturated
Flammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
LogP3.32
Vapor Pressure12.6 [mmHg]
Physical DescriptionLiquid; [Merck Index] Clear, light yellow liquid; [Aldrich MSDS]
물리화학적 성질
- 녹는점
- 95 °C · −95 °C(lit.)
- 끓는 점
- 130 °C · 130 °C(lit.)
- 밀도
- 1.218 g/mL · 1.218 g/mL at 25 °C(lit.)
- 증기 밀도
- 1 · >1 (vs air)
- 굴절률
- 20 · n20/D 1.444(lit.)
- 인화점
- 88 °F · 88 °F
- 저장 조건
- Flammables area
- 용해도
- 2 O: · H2O: 불용성
- 물리적 상태
- 액체
- 색상
- 무색투명~연황색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Pentane, 1-bromo-
REACH registered substance: 1-bromopentane (EC: 203-776-0)
1-Bromopentane: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards SummaryCauses other liver changes and effects on transaminases in oral toxic-dose studies of mice; [RTECS] A skin, respiratory tract, and strong eye irritant; [Aldrich MSDS] See 1-Bromopropane and 2-Bromopentane.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable agents - 3rd degree
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) = 47,600 mg/m3/2hr
안전 데이터
화학 및 산업
용도 및 제조
General Manufacturing InformationPentane, 1-bromo-: ACTIVE
응용 분야
용도1-Bromopentane is a chemical reagent used in a multitude of organic syntheses. It is used iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling. It is used in the synthesis of α, γ-diketo acids as reversible inhibitors of Hepatitis C virus NS5b RNA polymerase.
일반 설명1-Bromopentane undergoes phase transfer catalysed alkylation reaction with 2′-hydroxy acetophenone using tetrabutyl ammonium bromide as catalyst.
상·하류 제품 정보
상류 원료
하류 제품
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