3-Bromotetrahydropyran-4-one - CAS 98021-79-5

Catalog:	BB042092
Product Name:	3-Bromotetrahydropyran-4-one
CAS:	98021-79-5
Synonyms:	3-bromo-4-oxanone; 3-bromooxan-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromooxan-4-one
Description:	3-Bromotetrahydropyran-4-one (CAS# 98021-79-5) is a useful research chemical.
Molecular Weight:	179.01
Molecular Formula:	C5H7BrO2
Canonical SMILES:	C1COCC(C1=O)Br
InChI:	InChI=1S/C5H7BrO2/c6-4-3-8-2-1-5(4)7/h4H,1-3H2
InChI Key:	ZGULSQDBOSMIBZ-UHFFFAOYSA-N
Boiling Point:	226.451 °C at 760 mmHg
Density:	1.652 g/cm³
Appearance:	Solid
Storage:	Keep in dark place, Inert atmosphere, Store in freezer, under -20 °C
MDL:	MFCD13193743
LogP:	0.73930

Publication Number	Title	Priority Date
WO-2020114499-A1	Tyrosine kinase inhibitors, compositions and methods there of	20181207
TW-202033526-A	Compounds used as tyrosine kinase inhibitors, pharmaceutical compositions containing them, and uses thereof	20181207
CN-113166156-A	Tyrosine kinase inhibitors, compositions and methods thereof	20181207
EP-3891152-A1	Tyrosine kinase inhibitors, compositions and methods there of	20181207
CN-108546266-B	Synthesis method of 1,4,6, 7-tetrahydropyrane [4,3-C ] pyrazole-3-carboxylic acid	20180725

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.96294
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.96294
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4