3-푸르알데히드

3-Furaldehyde

HCID 10351CAS 498-60-2
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기본 정보

표준 SMILES
O=Cc1ccoc1
InChIKey
AZVSIHIBYRHSLB-UHFFFAOYSA-N
분자식
C5H4O2
평균 분자량
96.08 g/mol
단동위원소 질량
96.02112937

개요

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.

이름 및 식별자

우선 이름
3-Furaldehyde
IUPAC
furan-3-carbaldehyde
현지명
3-푸르알데히드
영어명
3-Furaldehyde
분자식
C5H4O2
분자량
96.08

이름 및 동의어

3-Furaldehydefuran-3-carbaldehyde3-FurancarboxaldehydeFuran-3-carboxaldehyde3-Formylfuran3-furfural3-furancarbaldehydeUNII-POB632X444CHEBI:87609POB632X444DTXSID401980763furancarboxaldehyde
이름 더 보기
3-푸르알데히드3FCHOSKL0743-FalfuralBETA-FURFURAL3-Formylofuran
RefChem:93992DTXCID70120567629-448-0AZVSIHIBYRHSLB-UHFFFAOYSA-NInChI=1/C5H4O2/c6-3-5-1-2-7-4-5/h1-4UN1199498-60-2MFCD00010424

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
0.5
극성 표면적
30.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
7

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점
148 · 148-149.5 °C
끓는 점
144 °C/732 · 144 °C/732 mmHg (lit.)
밀도
1.111 g/mL · 1.111 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.493(lit.)
인화점
119 °F · 119 °F
저장 조건
2 · 2-8°C

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

안전 데이터

wgk
3
ridadr
UN 1989 3/PG 3
HS 번호
2932190090
risk_code
10-36/37/38-23/25-21
hazard_code
Xi,F,T
safety_code
26-36-45-36/37-16-3

화학 및 산업

응용 분야

용도3-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.

일반 설명3-Furancarboxaldehyde undergoes photochemical reaction with benzaldehyde to yield oxetane derivatives.

제조 방법 · 1건

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.

상·하류 제품 정보

공급사50 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]
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]

추가 설명

정의ChEBI: 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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