3',5'-Dichloroacetophenone - CAS 14401-72-0

Catalog:	BB076872
Product Name:	3',5'-Dichloroacetophenone
CAS:	14401-72-0
Synonyms:	Ethanone, 1-(3,5-dichlorophenyl)-; 1-(3,5-Dichlorophenyl)ethan-1-one; (3,5-Dichlorophenyl)ethanone; 3,5-Dichlorophenyl methyl ketone

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-(3,5-dichlorophenyl)ethanone
Molecular Weight:	189.04
Molecular Formula:	C8H6Cl2O
Canonical SMILES:	CC(=O)C1=CC(=CC(=C1)Cl)Cl
InChI:	InChI=1S/C8H6Cl2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChI Key:	JGMBBKVZFUHCJC-UHFFFAOYSA-N
Boiling Point:	285.4±30.0°C at 760 mmHg
Melting Point:	26°C
Purity:	≥95%
Density:	1.304±0.06 g/cm3 (Predicted)
Appearance:	Colorless to Light Yellow to Light Orange Clear Liquid
Storage:	Store at RT

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[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
[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

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[452-76-6]
2,4-Difluorotoluene
[856848-33-4]
2-Amino-4,5-dibromopyridine

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:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.9795702
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.9795702
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9