2-TERT-ブチルフラン

2-tert-Butylfuran

HCID 138903CAS 7040-43-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)c1ccco1
InChIKey: BGQBONSBNSNYIO-UHFFFAOYSA-N
分子式: C8H12O
平均分子量: 124.18 g/mol
単同位体質量: 124.088815

名称と識別子

優先名称: 2-tert-Butylfuran
IUPAC: 2-tert-butylfuran
現地名: 2-TERT-ブチルフラン
英語名: 2-tert-Butylfuran
分子式: C8H12O
分子量: 124.18

名称と別名

2-tert-Butylfuran7040-43-9Furan, 2-(1,1-dimethylethyl)-DTXSID50220675RefChem:89419DTXCID80143166623-297-4InChI=1/C8H12O/c1-8(2,3)7-5-4-6-9-7/h4-6H,1-3H2-(tert-Butyl)furan2-t-ButylfuranMFCD001918812-tert-Butylfuran, 97%

名称をさらに表示

2-TERT-ブチルフラン2-tert-butylfuran, 97 % GC%

2-tert-butyl-furanSCHEMBL418090SCHEMBL1483363SCHEMBL2238859SCHEMBL9297650BGQBONSBNSNYIO-UHFFFAOYSA-NAKOS015912699AT32628

データベース識別子

CAS: 7040-43-9
PubChem CID: 138903
DTXSID: DTXSID50220675
EC Number: 623-297-4
Nikkaji: J492.759A

物性

構造計算による物性

XLogP: 2.7
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: 1
重原子数: 9
形式電荷: 0
複雑度: 91

物理化学的性質

沸点: 119 · 119-120 °C (lit.)
比重(密度): 0.871 g/mL · 0.871 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.438(lit.)
闪点: 45 °F · 45 °F
外見: liquid
InChI: 1S/C8H12O/c1-8(2,3)7-5-4-6-9-7/h4-6H,1-3H3
InChIKey: BGQBONSBNSNYIO-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccco1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

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

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.