홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

2-티오페네카르복스알데하이드

2-Thiophenecarboxaldehyde

HCID 7364
새 노트새 반응견적 요청하기
인쇄 미리보기

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
98-03-3
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 물성보충 중

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
형식 전하
0
복잡도
72.5

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
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태
액체 (투명)
색상
맑은 노란색

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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
hazard_code
Xn,Xi
safety_code
36/37/39-37-24-36-26
기존화학 물질
98-3-1084

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

상·하류 제품 정보

상류 원료

산화 나트륨사염화탄소2-thiophene2-Thiophenemethanol

관련 반응

320건
반응 기록 만들기
HRID 6171 반응식
HRID 6171반응물로uspto-grants-1993_09
HRID 7532 반응식
HRID 7532반응물로uspto-grants-2006_08
HRID 10037 반응식
HRID 10037반응물로uspto-grants-2006_08
HRID 25501 반응식
HRID 25501반응물로uspto-grants-2005_02
HRID 30294 반응식
HRID 30294반응물로uspto-grants-2008_09
HRID 34729 반응식
HRID 34729반응물로uspto-grants-1988_08
HRID 51166 반응식
HRID 51166반응물로uspto-grants-2004_03
HRID 51167 반응식
HRID 51167반응물로uspto-grants-2004_03
1 / 40 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
Specific Gravity
1.2 · 1.2
냄새
유황의
냄새 유형
유황의
수용성
불용성
BRN
105819 · 105819
InChI
1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
InChIKey
CNUDBTRUORMMPA-UHFFFAOYSA-N
SMILES
[H]C(=O)c1cccs1
LogP
1.02 · 1.020
NIST
2 · 2-Thiophenecarboxaldehyde(98-03-3)
EPA
2 · 2-Thiophenecarboxaldehyde (98-03-3)

화학적 성질

clear yellow to light brown liquid

F 고인화성물질
9
위험 참고 사항
Irritant
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
10 - Combustible liquids

하류 제품

(E)-2-(2-니트로에테닐)티오펜5-(2-PHENYLETH-1-YNYL)티오펜-2-카르발데하이드2-[1-METHYL-5-(TRIFLUOROMETHYL)PYRAZOL-3-YL]-THIOPHENE-5-CARBOXALDEHYDEBETA-(2-THIENYL)-DL-SERINEMETHYL 3-(THIEN-2-YL)ACRYLATE5-페닐티오펜-2-카르복살디하이드3-(2-티에닐)프로피온산4-Bromothiophene-2-carboxaldehyde2,3-티오펜디카르복스알데히드Thiophene-2-ethylamineETHYL 4-FORMYL-2,5-DIMETHYL-1-(2-THIENYLMETHYL)-1H-PYRROLE-3-CARBOXYLATE2-Thiophenemethylamine3-아미노-3-(2-티에닐)프로판산(4-BROMOTHIOPHEN-2-YL)METHANESULFONYL CHLORIDE티오펜-2-티오카복사미드4,5,6,7-Tetrahydrothieno[3,2,c] pyridine hydrochloride5-페닐티오펜-2-카르복실산1,3-다이메틸-2-(2-티에닐)이미다졸리딘THIOPHENE-2,5-DICARBOXYLIC ACID MONOMETHYL ESTERTiclopidine4-(2-THIENYL)BUT-3-EN-2-ONE5-FORMYL-2-티오펜카복실산

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.