3-ブロモフラン

3-Bromofuran

HCID 89164CAS 22037-28-1

基本情報

標準SMILES
Brc1ccoc1
InChIKey
LXWLEQZDXOQZGW-UHFFFAOYSA-N
分子式
C4H3BrO
平均分子量
146.97 g/mol
単同位体質量
145.93673

名称と識別子

優先名称
3-Bromofuran
IUPAC
3-bromofuran
現地名
3-ブロモフラン
英語名
3-Bromofuran
分子式
C4H3BrO
分子量
146.97

名称と別名

3-BromofuranFuran, 3-bromo-beta-Bromofuran.beta.-BromofuranDTXSID10176508EINECS 244-744-6RefChem:93244DTXCID3098999244-744-6InChI=1/C4H3BrO/c5-4-1-2-6-3-4/h1-3LXWLEQZDXOQZGW-UHFFFAOYSA-N22037-28-1
名称をさらに表示
3-ブロモフラン3‐ブロモフラン3-ブロモフラン, 97%, STAB. WITH 0.5% CALCIUM CARBONATE3-bromofuraneb-Bromofuranβ-BroMofuranBROMOFURANE-33-Bromofuran99%3-Bromofuran 97%
MFCD00005347YQ2XT7CKM53-Furyl bromide; beta-Bromofuran;3-Furyl bromide3-bromo furan3-bromo-furan3-Bromofuran, 97%UNII-YQ2XT7CKM5

データベース識別子

CAS
22037-28-1
PubChem CID
89164
DTXSID
DTXSID10176508
UNII
YQ2XT7CKM5
EC Number
244-744-6
Nikkaji
J225.527H

物性

構造計算による物性

XLogP
2.2
極性表面積
13.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
0
重原子数
6

物理化学的性質

融点
131.5 · 131.5-132 °C
沸点
103 °C · 103 °C (lit.)
比重(密度)
1.635 g/mL · 1.635 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.496(lit.)
闪点
38 °F · 38 °F
貯蔵温度
-20 °C · -20°C
化学的性質 · 1 件

化学的特性3-Bromofuran is a colorless to light yellow liquid having a boiling point similar to that of water (102.5-102.6 °C), but with density significantly higher (1.6606 g/cm3 at 20 °C).It is colorless when it is pure; however, the color can be light yellow when minor impurities are present. It is usaually stablized by calcium carbonate. It was used in the preparation of 2-substituted 3-furfurals. It was also used in the synthesis of 5,6-dehydronorcantharidins. 3-bromofuran is one of the volatile metabolites discussed in studies for detecting and discriminating diseases of onion.

安全と法規制

安全データ

F
10
wgk
3
ridadr
UN 1993 3/PG 2
hs_code
29321900
risk_code
11-36/37/38
消防法
危-4-1-II

化学と産業

応用分野

使用3-Bromofuran is heterocyclic building block used in organic synthesis. 3-Bromofuran is one of the volatile metabolites discussed in studies for detecting and discriminating diseases of onion.

調製方法 · 1 件

純化方法Purify 3-bromofuran by two steam distillations and dry it over fresh CaO. It can be dried over Na metal (no obvious reaction) and fractionated. It is not very soluble in H2O but is soluble in organic solvents. When freshly distilled, it is a clear oil, but darkens on standing and eventually resinifies. It can be stored for long periods by covering the oil with an alkaline solution of hydroquinone and is redistilled when required. It forms a characteristic maleic anhydride adduct, m 131.5-132o. [Shepard et al. J Am Chem Soc 52 2083 1930, Huhes & Johnson J Am Chem Soc 53 737 1931, adduct: van Campen & Johnson J Am Chem Soc 55 430 1933, Beilstein 17/1 V 295.]

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関連反応

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