푸란-3-카르복실산

3-Furoic acid

HCID 10268

기본 정보

CAS
488-93-7
표준 SMILES
O=C(O)c1ccoc1
InChIKey
IHCCAYCGZOLTEU-UHFFFAOYSA-N
분자식
C5H4O3
평균 분자량
112.08 g/mol
단동위원소 질량
112.01604399

개요

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.

이름 및 식별자

우선 이름
3-Furoic acid
IUPAC
furan-3-carboxylic acid
현지명
푸란-3-카르복실산
영어명
3-Furoic acid
분자식
C5H4O3
분자량
112.08

이름 및 동의어

3-FUROIC ACIDfuran-3-carboxylic acid488-93-73-Furancarboxylic acid3-carboxyfuran88A3S7RG98EINECS 207-689-9NSC 349941NSC-349941CHEBI:30846DTXSID50197611RefChem:502121
이름 더 보기
푸란-3-카르복실산3-퓨로산3-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1
극성 표면적
50.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
8

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
120 · 120-122 °C (lit.)
끓는 점
229.64 °C · 229.64°C
밀도
1.322 · 1.3220
굴절률
1.471 · 1.4710 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

안전 데이터

wgk
3
HS 번호
29321900
risk_code
36/37/38-34
hazard_code
Xi,C
safety_code
26-36/37-45-36/37/39-36
위험 등급
IRRITANT

화학 및 산업

약리 정보

Cellular LocationsCytoplasm
응용 분야 · 2건

개요3-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.

용도3-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.

공급사100 곳

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]

추가 설명

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

관련 반응

135건

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