呋喃羧酸

2-Furancarboxylic acid

HCID 6919CAS 26447-28-9

基本信息

标准SMILES: O=C(O)c1ccco1
InChIKey: SMNDYUVBFMFKNZ-UHFFFAOYSA-N
分子式: C5H4O3
平均分子量: 112.08 g/mol
单同位素质量: 112.01604399

概述

2-furoic acid is a furoic acid having the carboxylic acid group located at position 2. It has a role as an inhibitor, a Saccharomyces cerevisiae metabolite, a plant metabolite, a human xenobiotic metabolite and a bacterial xenobiotic metabolite. It is a conjugate acid of a 2-furoate.

名称与标识

首选名称: 2-Furancarboxylic acid
IUPAC: furan-2-carboxylic acid
中文名: 呋喃羧酸
英文名: Furancarboxylic acid
分子式: C5H4O3
分子量: 112.08

名称与别名

2-FUROIC ACID88-14-22-Furancarboxylic acidPyromucic acid2-Carboxyfuranalpha-Furoic acid2-furanoic acidalpha-Furancarboxylic acidDTXSID6041420NSC-8842P577F6494ADTXCID4021420

展开更多名称

糠酸(呋喃甲酸)

CHEBI:30845NSC-58965RefChem:909849201-803-0Furan-2-carboxylic acidFUROIC ACIDFurancarboxylic acid26447-28-9

数据库标识

CAS: 26447-28-9、88-14-2
PubChem CID: 6919
DTXSID: DTXSID6041420
ChEMBL: CHEMBL1232797
ChEBI: CHEBI:30845
UNII: P577F6494A
EC Number: 201-803-0、247-713-5
Nikkaji: J4.288I

性质

结构计算性质

XLogP: 0.5
极性表面积: 50.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 8
形式电荷: 0
复杂度: 99.8

实验与物化性质

SpringerMaterials PropertiesBoiling point

LogP · 2 条

0.64

Flavoring AgentsEU Flavoring substances

Solubility37.1 mg/mL at 15 °C

Boiling Point230.00 to 232.00 °C. @ 760.00 mm Hg

Melting Point133.5 °C

物理化学性质

熔点: 133 °C · 133°C
沸点: 149.97 °C · 149.97°C (rough estimate)
密度: 1.2552 · 1.2552 (rough estimate)
折射率: 1.439 · 1.4390 (estimate)
EPA化学物质信息: Furancarboxylic acid (26447-28-9)

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 34.8% (89 of 256) of reports.

Warning

H315 (64.5%): 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 256 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 6 条

Chemical: 2-Furancarboxylic acid

Chemical: Furancarboxylic acid

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Furancarboxylic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Furancarboxylic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 01-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20061

2-Furancarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 条

IMAP assessments - Furancarboxylic acid: Environment tier I assessment

IMAP assessments - 2-Furancarboxylic acid: Human health tier I assessment

Hazard Classes and CategoriesSkin Irrit. 2 (64.5%)

安全数据

tsca: TSCA listed

化学与工业

用途与制造

U.S. Production2023: 46,843 lb

Consumer UsespH regulating agent

General Manufacturing Information · 2 条

2-Furancarboxylic acid: ACTIVE

Furancarboxylic acid: INACTIVE

供应商10 家

武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]

武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]

Xiamen Eagle Chemical Limited Corporation+86-18900207489 · [email protected]

LUYUNJIA CHEMISTRY XIAMEN LIMITED+86-592-5360779 +86-13055435203

潍坊市伟蒙化工有限公司QQ 1340191485 15105445095 · [email protected]

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