3-Chloro-5-fluoroanisole - CAS 202925-08-4

Name: 3-Chloro-5-fluoroanisole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015776
Product Name:	3-Chloro-5-fluoroanisole
CAS:	202925-08-4
Synonyms:	1-chloro-3-fluoro-5-methoxybenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-chloro-3-fluoro-5-methoxybenzene
Description:	3-Chloro-5-fluoroanisole (CAS# 202925-08-4) is a useful research chemical.
Molecular Weight:	160.57
Molecular Formula:	C7H6ClFO
Canonical SMILES:	COC1=CC(=CC(=C1)Cl)F
InChI:	InChI=1S/C7H6ClFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChI Key:	XPZBNEWAZPZUHF-UHFFFAOYSA-N
Boiling Point:	189 °C (lit.)
Melting Point:	18 °C
Purity:	95 %
Density:	1.265 g/mL at 25 °C (lit.)
Appearance:	Colorless to pale yellow liquid
MDL:	MFCD00070770
LogP:	2.48770

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Related Functional Groups

Fluorinated Building Blocks

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[452-76-6]C7H6F2
2,4-Difluorotoluene

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]C7H6F2
2,4-Difluorotoluene
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

Oxygen Compounds

[134769-80-5]C11H16O2
3-Methylphenylacetaldehyde dimethyl acetal
[52378-69-5]C13H19O3P
Diethyl trans-cinnamylphosphonate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[2960-93-2]C22H18O2
2,2'-Dimethoxy-1,1'-binaphthalene

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

Publication Number	Title	Priority Date
US-2019002448-A1	Substituted benzofuranyl and benzoxazolyl compounds and uses thereof	20151231
US-2015336926-A1	Fluorination of aryl compounds	20130101
WO-2014107379-A1	Fluorination of aryl compounds	20130101
AU-2012345843-A1	Improved modulators of Hec1 activity and methods therefor	20111129
EP-2785714-A1	Improved modulators of hec1 activity and methods therefor	20111129

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:	3.3