1,3-Propanedione, 1,3-bis(4-fluorophenyl)- - CAS 1493-51-2

Catalog:	BB049937
Product Name:	1,3-Propanedione, 1,3-bis(4-fluorophenyl)-
CAS:	1493-51-2
Synonyms:	1,3-bis(4-fluorophenyl)propane-1,3-dione

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1,3-bis(4-fluorophenyl)propane-1,3-dione
Description:	1,3-Propanedione, 1,3-bis(4-fluorophenyl)- (CAS# 1493-51-2 ) is a useful research chemical.
Molecular Weight:	260.23
Molecular Formula:	C15H10F2O2
Canonical SMILES:	C1=CC(=CC=C1C(=O)CC(=O)C2=CC=C(C=C2)F)F
InChI:	InChI=1S/C15H10F2O2/c16-12-5-1-10(2-6-12)14(18)9-15(19)11-3-7-13(17)8-4-11/h1-8H,9H2
InChI Key:	MMDLTXGEZNHAOV-UHFFFAOYSA-N
Boiling Point:	402.3±30.0 °C at 760 mmHg
Density:	1.3±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[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
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[4860-03-1]
1-Chlorohexadecane
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[4185-62-0]
2-Bromo-1-nitronaphthalene
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	295
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.06488588
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	260.06488588
Rotatable Bond Count:	4
Topological Polar Surface Area:	34.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3