1-브로모펜탄

1-Bromopentane

HCID 8057CAS 110-53-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCBr
InChIKey
YZWKKMVJZFACSU-UHFFFAOYSA-N
분자식
C5H11Br
평균 분자량
151.04 g/mol
단동위원소 질량
150.00441245

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-7895DTXCID8028474
이름 더 보기
1-브로모펜탄1-브로모펜테인n-C5H11Br1-bromo-pentan1-Brompentan1-BrompentaneN myl bromide1-Pentylbromid
RefChem:751771-BPT CPD203-776-0Bromopentane1-Bromo-pentanePentane, bromo-29756-38-51-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

실험 및 물리화학적 성질

Chemical Classes · 2건

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

화학적 성질

liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 4건

Chemical: Pentane, 1-bromo-

Status: Active Update: 30-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10195

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 · 2건

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

wgk
2
tsca
TSCA listed
rtecs
RZ9770000
ridadr
UN 1993 3/PG 3
독성
LD50 ipr-mus: 1250 mg/kg GTPZAB 20(12),52,76
HS 번호
29033036

화학 및 산업

용도 및 제조

General Manufacturing InformationPentane, 1-bromo-: ACTIVE
응용 분야 · 2건

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

공급사50 곳

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