3-フランカルボン酸

3-Furoic acid

HCID 10268CAS 488-93-7

基本情報

標準SMILES
O=C(O)c1ccoc1
InChIKey
IHCCAYCGZOLTEU-UHFFFAOYSA-N
分子式
C5H4O3
平均分子量
112.08 g/mol
単同位体質量
112.01604399

概要

3-furoic acid is a furoic acid carrying the carboxy group at position 3. It has a role as a human metabolite. It is a conjugate acid of a 3-furoate.

名称と識別子

優先名称
3-Furoic acid
IUPAC
furan-3-carboxylic acid
現地名
3-フランカルボン酸
英語名
3-Furoic acid
分子式
C5H4O3
分子量
112.08

名称と別名

3-FUROIC ACIDfuran-3-carboxylic acid488-93-73-Furancarboxylic acid3-carboxyfuran88A3S7RG98EINECS 207-689-9NSC 349941NSC-349941CHEBI:30846DTXSID50197611RefChem:502121
名称をさらに表示
3-フランカルボン酸フラン-3-カルボン酸3-フル酸3フラン酸3-フラン酸3-フロ酸3-フロ酸, 99%3-焦性粘液酸3-Furioc Acid3-Furoicacid,99%3-FUROIC ACID 99%3-Furoic acid ,98%TIMTEC-BB SBB004325
3-Furancarboxylic acid (9CI)DTXCID10120102207-689-93-Furanoic acidMFCD00005350UNII-88A3S7RG983-Furancarboxylic Acid; 3-Carboxyfuran; 3-Furanoic Acid; NSC 3499413-Furanoate

データベース識別子

CAS
488-93-7
PubChem CID
10268
DTXSID
DTXSID50197611
ChEBI
CHEBI:30846
UNII
88A3S7RG98
EC Number
207-689-9
Nikkaji
J64G

物性

構造計算による物性

XLogP
1
極性表面積
50.4 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
1
重原子数
8

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift
LogP1.03
Solubility64 mg/mL
Melting Point120 - 122 °C
Physical DescriptionSolid

物理化学的性質

融点
120 · 120-122 °C (lit.)
沸点
229.64 °C · 229.64°C
比重(密度)
1.322 · 1.3220
屈折率
1.471 · 1.4710 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
DMSO(微量)、メタノール(微量)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information3-Furancarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
3
hs_code
29321900
risk_code
36/37/38-34
hazard_code
Xi,C
safety_code
26-36/37-45-36/37/39-36
hazard_class
IRRITANT

化学と産業

薬理情報

Cellular LocationsCytoplasm
応用分野 · 2 件

説明3-Furoic acid, also known as 3-carboxyfuran or 3-furoate, belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. 3-Furoic acid is an organic acid regularly occurring in urine of healthy individuals. It is used in synthesis of furan-2,5- and furan-2,4-dicarboxylic acid under solvent-free conditions via disproportionation reaction. It exhibits hypolipidemic activity in rodents. It lowers serum cholesterol and serum triglyceride levels in mice and rats.

使用3-Furoic acid can be used as a reactant to synthesize:Furan-2,5- and furan-2,4-dicarboxylic acid under solvent-free conditions via disproportionation reaction.(±)-Hyperolactone A by reacting with 2-methylbutanal.Furo[2,3-b]pyridin-4-one-5-carboxylate ester derivatives as potential non-nucleoside inhibitors of human herpesvirus polymerases.

調製方法

純化方法Crystallise the acid from water or aqueous EtOH, and sublime it in a vacuum. [Beilstein 18 I 439, 18 III/IV 4052, 18/6 V 196.]

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]
青岛鼎新海诺商贸有限公司18661607483
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

補足説明

定義ChEBI: A furoic acid carrying the carboxy group at position 3.

関連反応

135 件

関連ノート

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