2-Furancarboxylic acid
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
26447-28-9- 標準SMILES
O=C(O)c1ccco1- InChIKey
SMNDYUVBFMFKNZ-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
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.
名称と識別子
- 優先名称
- 2-Furancarboxylic acid
- IUPAC
- furan-2-carboxylic acid
- 英語名
- Furancarboxylic acid
- 分子式
- C5H4O3
- 分子量
- 112.08
名称と別名
2-FUROIC ACID88-14-22-Furancarboxylic acidPyromucic acid2-Carboxyfuranalpha-Furoic acid2-furanoic acidalpha-Furancarboxylic acidDTXSID6041420NSC-8842P577F6494ADTXCID4021420
名称をさらに表示
CHEBI:30845NSC-58965RefChem:909849201-803-0Furan-2-carboxylic acidFUROIC ACIDFurancarboxylic acid26447-28-9
データベース識別子
- 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
物性
構造計算による物性補完中
- XLogP
- 0.5
- 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
- 形式電荷
- 0
- 複雑度
- 99.8
実験および物理化学的性質
SpringerMaterials PropertiesBoiling point
LogP
0.64
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
Physical Description
Liquid
Solid
物理化学的性質
- 融点
- 133 °C · 133°C
- 沸点
- 149.97 °C · 149.97°C (rough estimate)
- 比重(密度)
- 1.2552 · 1.2552 (rough estimate)
- 屈折率
- 1.439 · 1.4390 (estimate)
- EPAの化学物質情報
- Furancarboxylic acid (26447-28-9)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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.
危険有害性情報
Regulatory Information
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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
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%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 46,843 lb
Consumer UsespH regulating agent
General Manufacturing Information
2-Furancarboxylic acid: ACTIVE
Furancarboxylic acid: INACTIVE
関連反応
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