1-ブロモ-2-メチルブタン

1-Bromo-2-methylbutane

HCID 25254CAS 10422-35-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC(C)CBr
InChIKey: XKVLZBNEPALHIO-UHFFFAOYSA-N
分子式: C5H11Br
平均分子量: 151.04 g/mol
単同位体質量: 150.00441245

名称と識別子

優先名称: 1-Bromo-2-methylbutane
IUPAC: 1-bromo-2-methylbutane
現地名: 1-ブロモ-2-メチルブタン
英語名: 1-Bromo-2-methylbutane
分子式: C5H11Br
分子量: 151.04

名称と別名

1-BROMO-2-METHYLBUTANE10422-35-25973-11-5Butane, 1-bromo-2-methyl-2-Methylbutyl BromideDL-1-Bromo-2-methylbutane1-bromoisopentane(1)-1-Bromo-2-methylbutaneEINECS 227-768-19787127K0PDTXSID50870593UNII-9787127K0P

名称をさらに表示

1-ブロモ-2-メチルブタン2-METHYL BROMOBUTANE1-bromo-2-methyl-butanFr-0081TIMTEC-BB SBB0076691-broMo-2-Methy butane2-METHYL-1-BUTYL BROMIDE2-METHYL-1-BUTYL BROMIDE 97%(+-) 1-Bromo-2-methylbutane 95

2-METHYLBUTAN-1-YL BROMIDEButane, 1-bromo-2-methyl-, DL-Butane, 1-bromo-2-methyl-, (.+/-.)-RefChem:75078DTXCID20818301Butane, 1-bromo-2-methyl-, (+-)-1-BROMO-2-METHYLBUTANE, (+-)-227-768-1

データベース識別子

CAS: 10422-35-2、5973-11-5
PubChem CID: 25254
DTXSID: DTXSID50870593
ChEMBL: CHEMBL156329
UNII: 9787127K0P
EC Number: 227-768-1、600-538-1
Nikkaji: J95.692I

物性

構造計算による物性

XLogP: 2.7
極性表面積: 0 Å²
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: 2
重原子数: 6
形式電荷: 0
複雑度: 27.1

実験および物理化学的性質

SpringerMaterials PropertiesDensity

物理化学的性質

融点: -105.4 °C · -105.4°C (estimate)
沸点: 122.93 °C · 122.93°C (estimate)
比重(密度): 1.214 · 1.2140
屈折率: 1.4426 · 1.4426
闪点: 22 °C · 22 °C
Henry's Law Constant: 8.8 · 8.8×10-4 mol/(m3Pa) at 25℃, Nirmalakhandan and Speece (1988)
InChI: InChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
InChIKey: XKVLZBNEPALHIO-UHFFFAOYSA-N
SMILES: C(C)(CBr)CC
CAS データベース: 10422 · 10422-35-2(CAS DataBase Reference)
NISTの化学物質情報: 1 · Butane, 1-bromo-2-methyl-(10422-35-2)
EPAの化学物質情報: 1 · Butane, 1-bromo-2-methyl-(10422-35-2)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H225 (97.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]