2-벤조푸란카르복스알데히드

2-Benzofurancarboxaldehyde

HCID 61341CAS 4265-16-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=Cc1cc2ccccc2o1
InChIKey
ADDZHRRCUWNSCS-UHFFFAOYSA-N
분자식
C9H6O2
평균 분자량
146.14 g/mol
단동위원소 질량
146.03677943

개요

2-Benzofurancarboxaldehyde is a member of benzofurans.

이름 및 식별자

우선 이름
2-Benzofurancarboxaldehyde
IUPAC
1-benzofuran-2-carbaldehyde
현지명
2-벤조푸란카르복스알데히드
영어명
2-Benzofurancarboxaldehyde
분자식
C9H6O2
분자량
146.14

이름 및 동의어

4265-16-12-BENZOFURANCARBOXALDEHYDEBENZO[B]FURAN-2-CARBOXALDEHYDE1-benzofuran-2-carbaldehyde2-FormylbenzofuranBenzofuran-2-aldehydeBenzo(b)-2-furfural2-benzofuran carboxaldehydeDTXSID4047121UNII-DGQ01SIT6TDGQ01SIT6TEINECS 224-248-6
이름 더 보기
2-벤조푸란카르복스알데히드CoumarilaldehydeBUTTPARK 98\04-15RARECHEM AM LA 0016TIMTEC-BB SBB0100592-BENZOFURAN ALDEHYDE2-formylbenzo[b]furan2-BENZOFURANCARBALDEHYDE
DTXCID20271212-FORMYLBENZOFURAN [FHFI]benzo(b)furan-2-carboxaldehydeRefChem:85553224-248-6ADDZHRRCUWNSCS-UHFFFAOYSA-NInChI=1/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6Benzofuran-2-carbaldehyde

데이터베이스 식별자

CAS
4265-16-1
PubChem CID
61341
DTXSID
DTXSID4047121
ChEMBL
CHEMBL3189084
ChEBI
CHEBI:193658
UNII
DGQ01SIT6T
EC Number
224-248-6
Nikkaji
J80.783D

물성

구조 계산 물성

XLogP
2.3
극성 표면적
30.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 2건

insoluble in water

slightly soluble (in ethanol)

Boiling Point · 2건

130.00 to 131.00 °C. @ 13.00 mm Hg

130-131 °C (13 mm Hg)

Melting Point195.00 to 198.00 °C. @ 760.00 mm Hg
Physical DescriptionCrystalline solid, bitter almond odour

물리화학적 성질

녹는점
9 · 9-9.5 °C
끓는 점
135 °C18 · 135 °C18 mm Hg(lit.)
밀도
1.206 g/mL · 1.206 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.633(lit.)
FEMA
3128 · 3128 | 2-BENZOFURANCARBOXALDEHYDE
인화점
230 °F · >230 °F

화학적 성질

Colorless to light yellow liqui

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Benzofurancarboxaldehyde

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

2-Benzofurancarboxaldehyde: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29329990
risk_code
36/37/38
hazard_code
Xi
safety_code
37/39-26

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2-Benzofurancarboxaldehyde: INACTIVE

응용 분야

용도2-Benzofurancarboxaldehyde may be used in the preparation of (E)-3-(benzofuran-2′-ylmethylidene)-1-methyl-2-indolinone and 1-(benzofuran-2-yl)methanol.

일반 설명2-Benzofurancarboxaldehyde, also known as benzo[b]-2-furfural, is an α,β-unsaturated aldehyde.

제조 방법

By the Gattermann process; also from coumaryloyl cyanide.

상·하류 제품 정보

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]

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