3-フルアルデヒド

3-Furaldehyde

HCID 10351CAS 498-60-2
部分構造検索類似構造を探す

基本情報

標準SMILES
O=Cc1ccoc1
InChIKey
AZVSIHIBYRHSLB-UHFFFAOYSA-N
分子式
C5H4O2
平均分子量
96.08 g/mol
単同位体質量
96.02112937

概要

3-furaldehyde is an aldehyde that is furan substituted by a formyl group at position 3. It has a role as a metabolite. It is an aldehyde and a member of furans. It derives from a hydride of a furan.

名称と識別子

優先名称
3-Furaldehyde
IUPAC
furan-3-carbaldehyde
現地名
3-フルアルデヒド
英語名
3-Furaldehyde
分子式
C5H4O2
分子量
96.08

名称と別名

3-Furaldehydefuran-3-carbaldehyde3-FurancarboxaldehydeFuran-3-carboxaldehyde3-Formylfuran3-furfural3-furancarbaldehydeUNII-POB632X444CHEBI:87609POB632X444DTXSID401980763furancarboxaldehyde
名称をさらに表示
3-フルアルデヒドフラン-4-カルボアルデヒド3-フランカルボアルデヒドフラン-3-カルボアルデヒド3-ホルミルフラン3-フルフラール3フラルデヒド3-フルアルデヒド(安定剤 0.1% BHT)3-フランカルボキシアルデヒド3FCHOSKL0743-FalfuralBETA-FURFURAL3-Formylofuran
RefChem:93992DTXCID70120567629-448-0AZVSIHIBYRHSLB-UHFFFAOYSA-NInChI=1/C5H4O2/c6-3-5-1-2-7-4-5/h1-4UN1199498-60-2MFCD00010424

データベース識別子

CAS
498-60-2
PubChem CID
10351
DTXSID
DTXSID40198076
ChEMBL
CHEMBL2228160
ChEBI
CHEBI:87609
UNII
POB632X444
EC Number
629-448-0
Nikkaji
J95.449G

物性

構造計算による物性

XLogP
0.5
極性表面積
30.2 Ų
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

実験および物理化学的性質

Chemical ClassesOther Classes -> Aldehydes
SpringerMaterials PropertiesChemical shift
LogP0.51
Vapor Pressure5.33 [mmHg]
Physical DescriptionYellow or brown liquid with an almond-like odor; [Alfa Aesar MSDS]

物理化学的性質

融点
148 · 148-149.5 °C
沸点
144 °C/732 · 144 °C/732 mmHg (lit.)
比重(密度)
1.111 g/mL · 1.111 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.493(lit.)
闪点
119 °F · 119 °F
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information3-Furancarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Highly toxic by ingestion and inhalation; [Alfa Aesar MSDS] See Furfural.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

F
8-10
wgk
3
ridadr
UN 1989 3/PG 3
hs_code
2932190090
risk_code
10-36/37/38-23/25-21
消防法
危-4-2-III

化学と産業

応用分野

使用3-Furaldehyde is a volatile compound of honey of various floral origin. It is used to produce N-furan-3-ylmethylene-N'-pyridin-2-yl-hydrazine by reaction with 2-hydrazino-pyridine. It is also used as a solvent.

一般的な説明3-Furancarboxaldehyde undergoes photochemical reaction with benzaldehyde to yield oxetane derivatives.

調製方法 · 1 件

製造方法synthesis of 3-furaldehyde: dissolve 3-furanmethanol (12.0g,0.12mol,1.0eq) in tetrahydrofuran (500ml), add manganese dioxide (156.4g,1.2mol,10.0eq), stir for 18 hours at room temperature, tlc showed that the reaction was completed. the product (9.0g crude) was obtained by filtration and the filtrate was concentrated.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

補足説明

定義ChEBI: 3-furaldehyde is an aldehyde that is furan substituted by a formyl group at position 3. It has a role as a metabolite. It is a member of furans and an aldehyde. It derives from a hydride of a furan.

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