1-(4-Fluorophenyl)-2,2-dihydroxyethanone - CAS 447-43-8

Catalog:	BB025703
Product Name:	1-(4-Fluorophenyl)-2,2-dihydroxyethanone
CAS:	447-43-8
Synonyms:	2-(4-fluorophenyl)-2-oxoacetaldehyde;hydrate; 2-(4-fluorophenyl)-2-oxoacetaldehyde;hydrate

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Computed Properties

Description:	1-(4-Fluorophenyl)-2,2-dihydroxyethanone (CAS# 447-43-8) is a useful research chemical.
Molecular Weight:	170.14
Molecular Formula:	C8H7FO3
Canonical SMILES:	C1=CC(=CC=C1C(=O)C=O)F.O
InChI:	InChI=1S/C8H5FO2.H2O/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-5H;1H2
InChI Key:	JZJXSEZCPBRRLU-UHFFFAOYSA-N
Boiling Point:	115 °C
MDL:	MFCD01320770
LogP:	1.14300

Publication Number	Title	Priority Date
CN-112979523-A	Preparation method of chiral 1, 4-diphenyl-2-hydroxy-1, 4-dibutanone compound	20210126
AU-2017341324-A1	Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof	20161014
CA-3040166-A1	Substituted 6-(1h-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof	20161014
CN-110191884-A	Substituted 6- (1H- pyrazol-1-yl) pyrimidine -4- amine derivative and application thereof	20161014
EP-3526212-A1	Substituted 6-(1h-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof	20161014

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Related Functional Groups

Carbonyl Compounds

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[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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GHS Hazard Statement:	H314 (16.67%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.03792224
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.03792224
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0