Tetrahydro-2H-pyran-4-carbonyl chloride - CAS 40191-32-0

Catalog:	BB024358
Product Name:	Tetrahydro-2H-pyran-4-carbonyl chloride
CAS:	40191-32-0
Synonyms:	4-oxanecarbonyl chloride; oxane-4-carbonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	oxane-4-carbonyl chloride
Description:	Tetrahydro-2H-pyran-4-carbonyl chloride (CAS# 40191-32-0) is a useful research chemical.
Molecular Weight:	148.59
Molecular Formula:	C6H9ClO2
Canonical SMILES:	C1COCCC1C(=O)Cl
InChI:	InChI=1S/C6H9ClO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2
InChI Key:	RYGUCYSSMOFTSH-UHFFFAOYSA-N
Boiling Point:	50-52 °C (1 mmHg)
Purity:	94 %
Density:	1.201 g/cm³
MDL:	MFCD06200863
LogP:	1.17840

Publication Number	Title	Priority Date
CN-113214201-A	Napabucasin derivatives and pharmaceutical application thereof	20210322
WO-2021211922-A1	Spiro-sulfonimidamide derivatives as inhibitors of myeloid cell leukemia-1 (mcl-1) protein	20200416
WO-2021210586-A1	Condensed heterocyclic compound	20200414
CN-111269215-A	Nitrogen-containing heterocyclic organic compound and preparation method and application thereof	20200401
KR-20210052269-A	Novel Compound for Crop Protection	20191029

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.0291072
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.0291072
Rotatable Bond Count:	1
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1