2-Thiophenecarboxaldehyde - CAS 98-03-3

Catalog:	BB042103
Product Name:	2-Thiophenecarboxaldehyde
CAS:	98-03-3
Synonyms:	thiophene-2-carbaldehyde

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	thiophene-2-carbaldehyde
Description:	2-Thiophenecarboxaldehyde (CAS# 98-03-3) is a useful research chemical.
Molecular Weight:	112.15
Molecular Formula:	C5H4OS
Canonical SMILES:	C1=CSC(=C1)C=O
InChI:	InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
InChI Key:	CNUDBTRUORMMPA-UHFFFAOYSA-N
Boiling Point:	198 °C
Purity:	95 %
Density:	1.2 g/cm³
Solubility:	1.44e+004 mg/L at 25 °C (est)
Appearance:	Yellow to brown liquid
Storage:	2-8 °C
MDL:	MFCD00005429
LogP:	1.56060
Vapor Pressure:	0.55 [mmHg]

Publication Number	Title	Priority Date
CN-113480524-A	Alkaloid hamacanthins series derivatives, and preparation method and application thereof	20210810
CN-113461510-A	Aromatic acid compound and preparation method thereof	20210804
CN-113502491-A	Electrochemical preparation method of Tioxazafen and atrareum intermediate	20210725
CN-113416138-A	Henry type reaction method of iron mediated aldehyde and bromonitromethane and product	20210721
CN-113372238-A	Imine compound and its synthesis method and use	20210630

PMID	Publication Date	Title	Journal
22606937	20120615	α,α'-N-Boc-substituted bi- and terthiophenes: fluorescent precursors for functional materials	The Journal of organic chemistry
22590417	20120501	3',6'-Bis(ethyl-amino)-2',7'-dimethyl-2-{2-(E)-[(thio-phen-2-yl)methyl-idene-amino]-eth-yl}spiro-[isoindoline-1,9'-xanthen]-3-one methanol monosolvate	Acta crystallographica. Section E, Structure reports online
22459466	20120401	Synthesis, characterization and biodistribution of novel amine thiophene ⁹⁹mTc labeled complex	Pakistan journal of pharmaceutical sciences
22606153	20120401	Benzyl 2-methyl-3-[(E)-(thio-phen-2-yl)methyl-idene]dithio-carbazate	Acta crystallographica. Section E, Structure reports online
22347043	20120201	[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-di-yl]bis-[N-(thio-phen-2-yl-methyl-idene)methanamine]	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	72.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.99828592
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	111.99828592
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1