3-Thiophenecarboxaldehyde (HCID 68135)

개요

3-formylthiophene is an aldehyde that is thiophene substituted by a formyl group at position 3. It has a role as a metabolite. It is an aldehyde and a member of thiophenes. It derives from a hydride of a thiophene.

이름 및 식별자

우선 이름: 3-Thiophenecarboxaldehyde
IUPAC: thiophene-3-carbaldehyde
영어명: 3-Thiophenecarboxaldehyde
분자식: C5H4OS
분자량: 112.15

이름 및 동의어

3-ThiophenecarboxaldehydeThiophene-3-carbaldehyde498-62-43-FormylthiopheneThiophene-3-carboxaldehyde3-ThiophenaldehydeThiophene-3-aldehyde3-Thienophenecarboxyaldehydethiophen-3-carboxaldehyde3-thiophene carboxyaldehydeEINECS 207-865-5CHEBI:87611

이름 더 보기

TH-CHO3-ThenaldehydeThiophene-3-carbaLRARECHEM AM LA 00113-THIOPHENEALDEHYDETIMTEC-BB SBB004320

3-Carboxaldehyde-thiopheneNSC 172858DTXSID2060098RefChem:95477DTXCID1040742207-865-5InChI=1/C5H4OS/c6-3-5-1-2-7-4-5/h1-4RBIGKSZIQCTIJF-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 498-62-4
PubChem CID: 68135
DTXSID: DTXSID2060098
ChEMBL: CHEMBL72211
ChEBI: CHEBI:87611
EC Number: 207-865-5
Nikkaji: J149.677H

물성

구조 계산 물성

XLogP: 1
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 72.5

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: -30 °C · -30 °C
끓는 점: 194 · 194-196 °C (lit.) 86-87 °C/20 mmHg (lit.)
밀도: 1.28 g/mL · 1.28 g/mL at 25 °C (lit.)
증기압: 0.31 mm · 0.31 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.583(lit.)
인화점: 165 °F · 165 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 헥산에 용해됨
물리적 상태: 액체
Specific Gravity: 1.228 · 1.228
색상: 맑은 노란색에서 연한 갈색까지
수용성: 물과 섞이지 않습니다.
BRN: 105889 · 105889
InChI: 1S/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H
InChIKey: RBIGKSZIQCTIJF-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccsc1
LogP: 1.01 · 1.010
NIST: 3 · 3-Thiophenecarboxaldehyde(498-62-4)
EPA: 3 · 3-Thiophenecarboxaldehyde (498-62-4)

화학적 성질

clear yellow to light brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information3-Thiophenecarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (89.4%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29339900
risk_code: 22-43-36/37/38
hazard_code: Xn,Xi
safety_code: 37-24-36-26-36/37/39-20/21
위험 등급: AIR SENSITIVE
위험 참고 사항: Irritant
자연 발화 온도: >392 °F
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information3-Thiophenecarboxaldehyde: ACTIVE

응용 분야

용도3-Thiophenecarboxaldehyde is used in biological studies to determine the volatile compounds formed from the interaction between organoselenium and sulfur compounds.

상·하류 제품 정보

하류 제품

2-NITROTHIOPHENE-4-CARBOXALDEHYDE 2-(3-THIENYL)ETHANAMINE 3,4-디티아-7H-시클로펜타[a]펜탈렌 (5-BROMOTHIOPHEN-3-YL)METHANESULFONYL CHLORIDE 4,4-Dihexyl-4H-cyclopenta[1,2-b:5,4-b']dithiophene 5-클로로티오펜-3-카보…티에노[2,3-B]티오펜 METHYL 3-THIOPHENECARBOXYLATE 97 3-(3-thienyl)pentanedioic acid FURAN-2-YL(THIOPHEN-3-YL)METHANOL 1-(3-Thienyl)butane-1,2-dione Thiophene, 3-(2,2-dibromoethenyl)-

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명

정의ChEBI: An aldehyde that is thiophene substituted by a formyl group at position 3.

연결된 노트

불러오는 중…

3-Thiophenecarboxaldehyde

기본 정보

개요