4-Chloro-3-fluoroanisole - CAS 501-29-1

Catalog:	BB026928
Product Name:	4-Chloro-3-fluoroanisole
CAS:	501-29-1
Synonyms:	1-chloro-2-fluoro-4-methoxybenzene; 1-chloro-2-fluoro-4-methoxybenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-chloro-2-fluoro-4-methoxybenzene
Description:	4-Chloro-3-fluoroanisole (CAS# 501-29-1) is a useful intermediate for the preparation of halogenated adamantanes derivatives for the treatment of diabetes.
Molecular Weight:	160.57
Molecular Formula:	C7H6ClFO
Canonical SMILES:	COC1=CC(=C(C=C1)Cl)F
InChI:	InChI=1S/C7H6ClFO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChI Key:	FAVMSTGWFRDCRR-UHFFFAOYSA-N
Boiling Point:	176.9 °C at 760 mmHg
Density:	1.239 g/cm³
MDL:	MFCD00042570
LogP:	2.48770

Publication Number	Title	Priority Date
CA-3085255-A1	Eif4e-inhibiting compounds and methods	20190702
WO-2021003157-A1	Eif4e-inhibiting 4-oxo-3,4-dihydropyrido[3,4-d]pyrimidine compounds	20190702
WO-2019063748-A1	INHIBITORS OF ROR-GAMMA	20170930
AU-2017302182-A1	Substituted thiazolo-pyridine compounds as MALT1 inhibitors	20160729
EP-3490995-A1	Substituted thiazolo-pyridine compounds as malt1 inhibitors	20160729

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Related Functional Groups

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[13294-71-8]
2-Bromo-2-butene, mixture of cis and trans

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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.0091207
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.0091207
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6