2,3-ジメチルフラン

2,3-Dimethylfuran

HCID 34337CAS 14920-89-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccoc1C
InChIKey: FJSKXQVRKZTKSI-UHFFFAOYSA-N
分子式: C6H8O
平均分子量: 96.13 g/mol
単同位体質量: 96.05751488

名称と識別子

優先名称: 2,3-Dimethylfuran
IUPAC: 2,3-dimethylfuran
現地名: 2,3-ジメチルフラン
英語名: 2,3-Dimethylfuran
分子式: C6H8O
分子量: 96.13

名称と別名

2,3-Dimethylfuran14920-89-9DTXSID301027759RefChem:1059481DTXCID9037878626-651-6Furan, dimethyl-Dimethyl furanFuran, 2,3-dimethyl-DIMETHYLFURAN2,3-Dimethyl-furan28802-49-5

名称をさらに表示

2,3-ジメチルフランFuragin Impurity 202,3-Dimethylfuran>2,3-Dimethylfuran 99%2,3-Dimethylfuran 99%2,3-Dimethylfuran,99%2,3-Dimethylfuran, GC 99%2,3-DiMethylfuran, 99% 1GR

MFCD00153893Dimethyl furaneEINECS 249-235-22,3-Dimethylfuran, 99%SCHEMBL115390SCHEMBL466372CHEMBL108232orb3132290

データベース識別子

CAS: 14920-89-9、28802-49-5
PubChem CID: 34337
DTXSID: DTXSID301027759
ChEMBL: CHEMBL108232
EC Number: 249-235-2、626-651-6
Nikkaji: J498.240A

物性

構造計算による物性

XLogP: 1.8
極性表面積: 13.1 Å²
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: 7
形式電荷: 0
複雑度: 61.2

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

融点: -62.8 °C · -62.8°C (estimate)
沸点: 42 °C/115 · 42 °C/115 mmHg (lit.)
比重(密度): 0.91 g/mL · 0.91 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.443(lit.)
闪点: 30 °F · 30 °F
貯蔵温度: Flammables area
外見: clear liquid
色: Colorless to Yellow to Green
比重: 0.919 · 0.919
水溶解度: 水に不溶。
BRN: 104572 · 104572
InChI: 1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
InChIKey: FJSKXQVRKZTKSI-UHFFFAOYSA-N
SMILES: Cc1ccoc1C
CAS データベース: 14920 · 14920-89-9(CAS DataBase Reference)

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 · 6 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

危険有害性情報

Hazard Classes and Categories · 2 件

Flam. Liq. 2 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29321900
risk_code: 11-20/21/22
消防法: 危-4-1-II
hazard_code: F,Xn
safety_code: 16-36
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用2,3-Dimethylfuran may be used in the synthesis of 2,9-dioxabicyclo[3.3.1]nonane. Ireland Alcohol was synthesized in from 2,3-dimethylfuran.

一般的な説明2,3-Dimethylfuran is a methyl substituted furan. The gas-phase rate constant determined by the relative rate method for the reaction of 2,3-dimethylfuran with NO3 radical was found to be (5.83 ± 0.46)×10-11 and with OH radical was (12.6 ± 0.4)×10-11 (in units of cm3 molecule-1 s-1). It is reported to be formed by the cyclization of (Z)-3-methylpent-2-en-4-yn-1-ol by various methods.