2,5-티오펜디카복시알데히드

2,5-티오펜디카복시알데히드 · THIOPHENE-2,5-DICARBALDEHYDE · S0509 · 2,5-Thiophenedial · TIMTEC-BB SBB000080 · 2,5-Diformylthiophene · Thiophene-2,5-dialdehyde · 2,5-THIOPHENEDICARBOXALDEHYDE

https://huagongshe.com/ko/chemical/587784

식별자 및 물리적 특성

CAS No.	932-95-6
분자식	C6H4O2S
평균 분자량	140.16 g/mol
단동위원소 질량	139.99320037 g/mol
SMILES	O=Cc1ccc(C=O)s1
InChIKey	OTMRXENQDSQACG-UHFFFAOYSA-N
PubChem CID	587784
ChEMBL	CHEMBL2229528
EC No.	627-004-0
DTXSID	DTXSID50343151
현지명	2,5-티오펜디카복시알데히드

화학 및 물리적 성질

XLogP	1.2
극성 표면적	62.4
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	9
형식 전하	0
복잡도	110
녹는점	115-117 °C (lit.)
끓는 점	226.66°C (rough estimate)
밀도	1.327 (estimate)
굴절률	1.5300 (estimate)
저장 조건	under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태	고체
InChI	InChI=1S/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4H
InChIKey	OTMRXENQDSQACG-UHFFFAOYSA-N
SMILES	C1(C=O)SC(C=O)=CC=1
NIST	2,5-Thiophenedicarboxaldehyde(932-95-6)

화학적 성질

PALE BROWN-ORANGE TO PALE BROWN POWDER

안전 및 규제

GHS 분류	WarningH315 (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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
관세 코드	29349990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

2,5-Thiophenedicarboxaldehyde acts as a reagent in the synthesis of N,N''-bis-(mercaptophenylimine)thiophenedicarboxaldehyde Schiff base, and also functions as an intermediate in many organic synthesis.

일반 설명

2,5-Thiophenedicarboxaldehyde can be prepared from 2,5-bis(chloromethyl)thiophene by the application of Krhnke′s method.