2-티오페네카르복스알데하이드

2-Thiophenecarboxaldehyde

HCID 7364CAS 98-03-3

기본 정보

표준 SMILES
O=Cc1cccs1
InChIKey
CNUDBTRUORMMPA-UHFFFAOYSA-N
분자식
C5H4OS
평균 분자량
112.15 g/mol
단동위원소 질량
111.99828575

개요

Formylthiophene is an aldehyde that is thiophene substituted by a formyl group at position 2. It has a role as a metabolite. It is an aldehyde and a member of thiophenes.

이름 및 식별자

우선 이름
2-Thiophenecarboxaldehyde
IUPAC
thiophene-2-carbaldehyde
현지명
2-티오페네카르복스알데하이드
영어명
2-Thiophenecarboxaldehyde
분자식
C5H4OS
분자량
112.15

이름 및 동의어

Thiophene-2-carbaldehyde2-Thiophenecarboxaldehyde98-03-32-ThiophenealdehydeThiophene-2-carboxaldehyde2-Thienylaldehyde2-Thienylcarboxaldehyde2-Thienaldehyde2-Thiophene carboxaldehydealpha-Formylthiophenealpha-ThiophenecarboxaldehydeIW05BB9XBM
이름 더 보기
2-티오펜카복스알데하이드2-티오페네카르복스알데하이드formylthiopheneS05082-Thienal2-Theldehyde
DTXSID7052656RefChem:483769DTXCID4031229202-629-82-ThenaldehydeThiophene-2-aldehyde2-FORMYLTHIOPHENE2-Thiophenecarbaldehyde

데이터베이스 식별자

CAS
98-03-3
PubChem CID
7364
DTXSID
DTXSID7052656
ChEMBL
CHEMBL328441
ChEBI
CHEBI:87301
UNII
IW05BB9XBM
EC Number
202-629-8
Nikkaji
J37.032K

물성

구조 계산 물성

XLogP
1
극성 표면적
45.3 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 -> Thiophenes
SpringerMaterials PropertiesCoriolis coupling
LogP · 2건

1.02

1.02

Boiling Point75.00 to 77.00 °C. @ 11.00 mm Hg
Vapor Pressure0.55 [mmHg]
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
10 °C · <10°C
끓는 점
198 °C · 198 °C (lit.) 75-77 °C/11 mmHg (lit.)
밀도
1.2 g/mL · 1.2 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.591(lit.)
인화점
172 °F · 172 °F
저장 조건
2 · 2-8°C

화학적 성질

clear yellow to light brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 152 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 2-Thiophenecarboxaldehyde

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Status: Active Update: 25-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18661

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

Hazards SummaryA moderate eye and mild skin irritant; [RTECS] An irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See Thiophene.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XM8135000
ridadr
UN 2810
HS 번호
29349990
risk_code
22-36/37/38-43

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

General Manufacturing Information2-Thiophenecarboxaldehyde: ACTIVE
응용 분야 · 3건

개요2-Thiophenecarboxaldehyde, also known as alpha-formylthiophene or 2-thienylaldehyde, belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. 2-Thiophenecarboxaldehyde is a sulfurous tasting compound. 2-Thiophenecarboxaldehyde has been detected, but not quantified in, asparagus (Asparagus officinalis). This could make 2-thiophenecarboxaldehyde a potential biomarker for the consumption of these foods. 2-Thiophenecarboxaldehyde is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites.

용도Thiophene derivatives, introducing thenyl group into organic compounds.

일반 설명Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

추가 설명

정의ChEBI: 2-Thiophenecarboxaldehyde is an aldehyde that is thiophene substituted by a formyl group at position 2. It has a role as a metabolite. It is a member of thiophenes and an aldehyde.

관련 반응

320건

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