2-Chloro-2,2-difluoroacetophenone - CAS 384-67-8

Catalog:	BB023676
Product Name:	2-Chloro-2,2-difluoroacetophenone
CAS:	384-67-8
Synonyms:	2-chloro-2,2-difluoro-1-phenylethanone

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-2,2-difluoro-1-phenylethanone
Description:	2-Chloro-2,2-difluoroacetophenone (CAS# 384-67-8) is a useful research chemical.
Molecular Weight:	190.57
Molecular Formula:	C8H5ClF2O
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C(F)(F)Cl
InChI:	InChI=1S/C8H5ClF2O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
InChI Key:	MNOONJNILVDLSW-UHFFFAOYSA-N
Boiling Point:	94 ℃ (35 torr)
Purity:	95 %
Density:	1.293 g/mL at 25 ℃ (lit.)
Appearance:	Clear yellow liquid
MDL:	MFCD00042123
LogP:	2.70090

Publication Number	Title	Priority Date
CN-111763215-A	Compound with nitrogen-containing heterocyclic structure and preparation method and application thereof	20200721
CN-111763215-B	Compound with nitrogen-containing heterocyclic structure and preparation method and application thereof	20200721
WO-2021081207-A1	Glp-1r modulating compounds	20191025
US-2021171499-A1	Glp-1r modulating compounds	20191025
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619

PMID	Publication Date	Title	Journal
17168605	20061222	2-Chloro-2,2-difluoroacetophenone: a non-ODS-based difluorocarbene precursor and its use in the difluoromethylation of phenol derivatives	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.9996988
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.9996988
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4