2'-Chloro-4'-fluoroacetophenone - CAS 700-35-6

Catalog:	BB034050
Product Name:	2'-Chloro-4'-fluoroacetophenone
CAS:	700-35-6
Synonyms:	1-(2-chloro-4-fluorophenyl)ethanone; 1-(2-chloro-4-fluorophenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(2-chloro-4-fluorophenyl)ethanone
Description:	2'-Chloro-4'-fluoroacetophenone (CAS# 700-35-6) is a useful research chemical.
Molecular Weight:	172.58
Molecular Formula:	C8H6ClFO
Canonical SMILES:	CC(=O)C1=C(C=C(C=C1)F)Cl
InChI:	InChI=1S/C8H6ClFO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3
InChI Key:	CSEMGLVHVZRXQF-UHFFFAOYSA-N
Boiling Point:	203.4 °C at 760 mmHg
Density:	1.258 g/cm³
MDL:	MFCD00042202
LogP:	2.68170

Publication Number	Title	Priority Date
WO-2021069701-A1	Atf6 modulators and uses thereof	20191009
WO-2020188049-A1	Quinoline derivatives, processes for their preparation and uses thereof for the treatment of cancer	20190320
EP-3712135-A1	Azole derivative, intermediate compound, method for producing azole derivative, agent for agricultural and horticultural use, and material protection agent for industrial use	20171113
US-2020288714-A1	Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material	20171113
US-10945434-B2	Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material	20171113

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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ML-SI3

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GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0091207
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.0091207
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3