3'-(Difluoromethoxy)acetophenone - CAS 101975-23-9

Catalog:	BB000716
Product Name:	3'-(Difluoromethoxy)acetophenone
CAS:	101975-23-9
Synonyms:	1-[3-(difluoromethoxy)phenyl]ethanone; 1-[3-(difluoromethoxy)phenyl]ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-[3-(difluoromethoxy)phenyl]ethanone
Description:	3'-(Difluoromethoxy)acetophenone (CAS# 101975-23-9) is a useful research chemical.
Molecular Weight:	186.16
Molecular Formula:	C9H8F2O2
Canonical SMILES:	CC(=O)C1=CC(=CC=C1)OC(F)F
InChI:	InChI=1S/C9H8F2O2/c1-6(12)7-3-2-4-8(5-7)13-9(10)11/h2-5,9H,1H3
InChI Key:	RLBDNZCDRGGGEE-UHFFFAOYSA-N
Boiling Point:	223.8 °C at 760 mmHg
Density:	1.191 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00236220
LogP:	2.49060

Publication Number	Title	Priority Date
US-2021032196-A1	Alcohol derivatives as kv7 potassium channel openers	20190802
WO-2021023617-A1	Alcohol derivatives as kv7 potassium channel openers	20190802
WO-2019168874-A1	Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same	20180227
US-2021032181-A1	Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same	20180227
US-2019263786-A1	Therapeutic compounds and methods of use thereof	20180226

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Related Functional Groups

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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:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.04923582
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.04923582
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8