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1-(5-Chloro-2-hydroxyphenyl)-1,3-butanedione

1-(5-Chloro-2-hydroxyphenyl)-1,3-butanedione - CAS 65897-66-7

Catalog:	BB032851
Product Name:	1-(5-Chloro-2-hydroxyphenyl)-1,3-butanedione
CAS:	65897-66-7
Synonyms:	1-(5-chloro-2-hydroxyphenyl)butane-1,3-dione

Technical Data

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Computed Properties

IUPAC Name:	1-(5-chloro-2-hydroxyphenyl)butane-1,3-dione
Description:	1-(5-Chloro-2-hydroxyphenyl)-1,3-butanedione (CAS# 65897-66-7 ) is a useful research chemical.
Molecular Weight:	212.63
Molecular Formula:	C10H9ClO3
Canonical SMILES:	CC(=O)CC(=O)C1=C(C=CC(=C1)Cl)O
InChI:	InChI=1S/C10H9ClO3/c1-6(12)4-10(14)8-5-7(11)2-3-9(8)13/h2-3,5,13H,4H2,1H3
InChI Key:	DPZZGIRQJCKZAU-UHFFFAOYSA-N
Boiling Point:	341.7 °C at 760 mmHg
Density:	1.316 g/cm³
MDL:	MFCD00235254
LogP:	2.20740

Publication Number	Title	Priority Date
US-2013046054-A1	High refractive index composition	20100429
US-8883935-B2	High refractive index composition	20100429
US-2721143-A	3-phenyl pyrazol compounds and preserved composition containing said compounds	19501118

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Carbonyl Compounds

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[87-88-7]
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[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0240218
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.0240218
Rotatable Bond Count:	3
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3