2,2-ジブロモプロパン

2,2-Dibromopropane

HCID 11658CAS 594-16-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(Br)Br
InChIKey: ARITXYXYCOZKMU-UHFFFAOYSA-N
分子式: C3H6Br2
平均分子量: 201.89 g/mol
単同位体質量: 199.88362439

名称と識別子

優先名称: 2,2-Dibromopropane
IUPAC: 2,2-dibromopropane
現地名: 2,2-ジブロモプロパン
英語名: 2,2-Dibromopropane
分子式: C3H6Br2
分子量: 201.89

名称と別名

2,2-DIBROMOPROPANEPropane, 2,2-dibromo-GH5NDU3B4EEINECS 209-828-92,2-DIBROMOPROPANDTXSID0060482RefChem:80960DTXCID0042616209-828-9ARITXYXYCOZKMU-UHFFFAOYSA-NInChI=1/C3H6Br2/c1-3(2,4)5/h1-2H594-16-1

名称をさらに表示

2,2-ジブロモプロパンブロモアセトール二臭化イソプロピリデン2,2‐ジブロモプロパンBromoacetoleacetone dibromide2,2-Dibromopropane >2,2-Dibromopropane,98%Isopropylidene dibromide

MFCD000001192,2-dibromo-propandibromo propane2-Dibrompropan22-Dibromopropane2,2-dibromo-propaneUNII-GH5NDU3B4ESCHEMBL1013573

データベース識別子

CAS: 594-16-1
PubChem CID: 11658
DTXSID: DTXSID0060482
UNII: GH5NDU3B4E
EC Number: 209-828-9
Nikkaji: J2.704I

物性

構造計算による物性

XLogP: 2.5
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: 0
重原子数: 5
形式電荷: 0
複雑度: 27.9

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

物理化学的性質

融点: -44.69 °C · -44.69°C (estimate)
沸点: 114 °C · 114 °C (740 mmHg)
比重(密度): 1.78 · 1.78
屈折率: 1.495 · 1.495-1.499
闪点: 113 °C · 113 °C
外見: 液体
色: 無色～淡黄色
InChI: InChI=1S/C3H6Br2/c1-3(2,4)5/h1-2H3
InChIKey: ARITXYXYCOZKMU-UHFFFAOYSA-N
SMILES: CC(Br)(Br)C
EPAの化学物質情報: 2 · Propane, 2,2-dibromo- (594-16-1)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 23-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33384

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

tsca: TSCA listed
ridadr: 2810
hs_code: 29033990
risk_code: 36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 36/37/39-26-37/39-24/25
hazard_class: 6.1(b)
packing_group: III

化学と産業

用途と製造

General Manufacturing InformationPropane, 2,2-dibromo-: INACTIVE

応用分野

使用2,2-dibromopropane is used in organic synthesis. dimethyl isopropenylsuccinate was formed as a by-product in the reaction of 2,2-dibromopropane.

調製方法 · 1 件

製造方法2,2-Dibromopropane synthesis: Ethyl bicyclic phosphite (3.5g, 0.025mole) and acetone (1.5g, 1. 9ml, 0.025mole) were dissolved in thirty ml benzene in a one-neck 100ml 19/22 standard taper flask and the solution was cooled to 5° by an ice bath. The solution was stirred by a magnetic stirrer and bar, and to it was added bromine (4g, 0.025mole) dropwise from a dropping funnel. The reaction proceeded immediately as no dibromide intermediate appeared, and after completion of halogen addition the solution was stirred for half an hour in the cold, and then analyzed for dihaloalkane . Analysis on the Beckman GC-2A Gas Chr omatograph indicated the presence of 2,2-Dibromopropane, and the yield was calculated as previously described. Yield: 1.56g, 31%.2,2-dibromopropane is also prepared by Hydrogen bromide and propyne.