1-ブロモペンタン

1-Bromopentane

HCID 8057CAS 110-53-2
部分構造検索類似構造を探す

基本情報

標準SMILES
CCCCCBr
InChIKey
YZWKKMVJZFACSU-UHFFFAOYSA-N
分子式
C5H11Br
平均分子量
151.04 g/mol
単同位体質量
150.00441245

概要

1-bromopentane has been reported in Fucus vesiculosus with data available.

名称と識別子

優先名称
1-Bromopentane
IUPAC
1-bromopentane
現地名
1-ブロモペンタン
英語名
1-Bromopentane
分子式
C5H11Br
分子量
151.04

名称と別名

1-BROMOPENTANE110-53-2n-Amyl bromidePentyl bromideAmyl bromiden-Pentyl bromide1-Pentyl bromidePentane, 1-bromo-DTXSID3049203Z2S4R599P0NSC-7895DTXCID8028474
名称をさらに表示
1-ブロモペンタン臭化ペンチル臭化アミルアミルブロミド臭化n-アミルn-アミルブロミドペンチルブロミドN-アミルブロマイドnアミルブロマイド臭化N-ペンチル臭化 n-アミル1‐ブロモペンタン1-ブロモペンタン, 99%n-C5H11Br1-bromo-pentan1-Brompentan1-BrompentaneN myl bromide1-Pentylbromid
RefChem:751771-BPT CPD203-776-0Bromopentane1-Bromo-pentanePentane, bromo-29756-38-51-bromo pentane

データベース識別子

CAS
110-53-2
PubChem CID
8057
DTXSID
DTXSID3049203
ChEMBL
CHEMBL155850
UNII
Z2S4R599P0
EC Number
203-776-0
Nikkaji
J1.976C

物性

構造計算による物性

XLogP
3.4
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
3
重原子数
6

実験および物理化学的性質

Chemical Classes · 2 件

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]

物理化学的性質

融点
95 °C · −95 °C(lit.)
沸点
130 °C · 130 °C(lit.)
比重(密度)
1.218 g/mL · 1.218 g/mL at 25 °C(lit.)
蒸気密度
1 · >1 (vs air)
屈折率
20 · n20/D 1.444(lit.)
闪点
88 °F · 88 °F

化学的性質

化学的特性liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 4 件

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 · 2 件

Flam. Liq. 3 (100%)

Flammable agents - 3rd degree

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) = 47,600 mg/m3/2hr

安全データ

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

化学と産業

用途と製造

General Manufacturing InformationPentane, 1-bromo-: ACTIVE
応用分野 · 2 件

使用1-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.

一般的な説明1-Bromopentane undergoes phase transfer catalysed alkylation reaction with 2′-hydroxy acetophenone using tetrabutyl ammonium bromide as catalyst.

調製方法

純化方法Wash the bromide with conc H2SO4, then water, 10% Na2CO3 solution, again with water, dry with CaCl2 or K2CO3, and fractionally distil it just before use. [Beilstein 1 IV 312.]

上流・下流製品情報

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