Tetrahydrofuran-2-carbaldehyde - CAS 7681-84-7

Catalog:	BB035708
Product Name:	Tetrahydrofuran-2-carbaldehyde
CAS:	7681-84-7
Synonyms:	2-oxolanecarboxaldehyde; oxolane-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	oxolane-2-carbaldehyde
Description:	Tetrahydrofuran-2-carbaldehyde (CAS# 7681-84-7) is a useful research chemical for organic synthesis and other chemical processes. A tetrahydrofurfuryl derivative for use as flavour in foods.
Molecular Weight:	100.12
Molecular Formula:	C5H8O2
Canonical SMILES:	C1CC(OC1)C=O
InChI:	InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h4-5H,1-3H2
InChI Key:	BBNYLDSWVXSNOQ-UHFFFAOYSA-N
Boiling Point:	315.023 °C at 760 mmHg
Density:	1.126 g/cm³
LogP:	0.36430

Publication Number	Title	Priority Date
CN-113024350-A	Method for preparing 1, 5-pentanediol or 1, 6-hexanediol by utilizing bio-based furan compound	20210319
CN-113024506-A	Process for preparing 3-formyltetrahydrothiopyran compounds	20210318
CN-113214294-A	Tricyclic compound, pharmaceutical composition and application thereof	20200610
WO-2021209397-A1	Lily of the valley odorant	20200414
WO-2021198198-A1	Oil-in-water emulsion comprising a solid lipid material	20200331

PMID	Publication Date	Title	Journal
19326896	20090521	Inverse temperature dependence in the diastereoselective addition of Grignard reagents to a tetrahydrofurfural	Organic letters
18588305	20080807	Highly stereoselective and modular syntheses of 10-hydroxytrilobacin and three diastereomers via stereodivergent [3 + 2]-annulation reactions	Organic letters
17112244	20061101	Unique and common metabolites of thiamethoxam, clothianidin, and dinotefuran in mice	Chemical research in toxicology
16075441	20051021	Total synthesis of murisolins and evaluation of tumor-growth inhibitory activity	Chemistry (Weinheim an der Bergstrasse, Germany)
15467275	20041001	[Systematic synthesis of antitumor annonaceous acetogenins]	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	70.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.052429494
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	100.052429494
Rotatable Bond Count:	1
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1