3-Furancarboxaldehyde, tetrahydro- (HCID 157568)

名称と識別子

優先名称: 3-Furancarboxaldehyde, tetrahydro-
IUPAC: oxolane-3-carbaldehyde
英語名: Tetrahydrofuran-3-carboxaldehyde
分子式: C5H8O2
分子量: 100.12

名称と別名

Tetrahydrofuran-3-carbaldehyde79710-86-43-Furancarboxaldehyde, tetrahydro-tetrahydro-3-furancarboxaldehydeDTXSID60888563EC 629-664-5RefChem:502102DTXCID601027839629-664-5oxolane-3-carbaldehydeTETRAHYDROFURAN-3-CARBOXALDEHYDEtetrahydro-3-furancarbaldehyde

名称をさらに表示

3-Formyl-THFtetrahydro-3-furaldehyd3-formyltetrahydrofuranvtetrahydro-3-furancarbaldehydetetrahydro-3-furancarboxaldehyd

MFCD02101976tetrahydrofuran-3-carboxyaldehyde(oxolan-3-yl)formaldehydeSCHEMBL67754AKOS000121109CS-W004272SY046752Tetrahydrofuran-3-carbaldehyde, 50% in water

データベース識別子

CAS: 79710-86-4
PubChem CID: 157568
DTXSID: DTXSID60888563
ChEMBL: CHEMBL2228161
EC Number: 629-664-5
Nikkaji: J876.205H

物性

構造計算による物性

XLogP: -0.3
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 70.5

物理化学的性質

沸点: 99 °C · 99 °C
比重(密度): 1.106 g/mL · 1.106 g/mL at 25 °C
屈折率: 20 · n20/D 1.416
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
外見: Liquid
InChI: 1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2
InChIKey: GSUBXIVOZXWGKF-UHFFFAOYSA-N
SMILES: O=CC1CCOC1
EPAの化学物質情報: 3 · 3-Furancarboxaldehyde, tetrahydro- (79710-86-4)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (72.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 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 Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 18-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11049

Hazard Classes and CategoriesAcute Tox. 4 (72.6%)

安全データ

wgk: -
tsca: TSCA listed
hs_code: 2912490090
risk_code: 5-19-41
hazard_code: Xi
safety_code: 26-36/37/39-39
Hazard Classifications: Eye Dam. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing Information3-Furancarboxaldehyde, tetrahydro-: ACTIVE

応用分野 · 2 件

使用2-(Tetrahydrofuran-3-yl)acetaldehyde is a reagent used in the preparation of several pharmaceutical agents. It is used in the prepoaration of ortho-amino benzamides and nicotinamides as MCHr1 (Melanin-concentrating hormone receptor 1) antagonists, used in the therapeutic treatment of obesity. Also used in the pereparation of Tsg101-directed HIV-1 budding antagonists for application towards late-stage HIV-1 infection.

一般的な説明The product is a 50 wt.% solution of tetrahydrofuran-3-carboxaldehyde in water.