3-Chloroanisole - CAS 2845-89-8

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

Catalog:	BB019856
Product Name:	3-Chloroanisole
CAS:	2845-89-8
Synonyms:	1-chloro-3-methoxybenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-chloro-3-methoxybenzene
Description:	3-Chloroanisole (CAS# 2845-89-8) is a useful research chemical.
Molecular Weight:	142.58
Molecular Formula:	C7H7ClO
Canonical SMILES:	COC1=CC(=CC=C1)Cl
InChI:	InChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key:	YUKILTJWFRTXGB-UHFFFAOYSA-N
Boiling Point:	193 °C
Purity:	95 %
Density:	1.164 g/cm³
Appearance:	Clear light yellow liquid.
Storage:	Keep away from sources of ignition. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00000591
LogP:	2.34860

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Related Functional Groups

Halides

[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[4860-03-1]C16H33Cl
1-Chlorohexadecane
[73084-03-4]C11H18ClN3
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[4185-62-0]C10H6BrNO2
2-Bromo-1-nitronaphthalene

Oxygen Compounds

[134769-80-5]C11H16O2
3-Methylphenylacetaldehyde dimethyl acetal
[77987-49-6]C10H13NO3
Z-Glycinol
[52378-69-5]C13H19O3P
Diethyl trans-cinnamylphosphonate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

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
WO-2021113062-A1	PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ÃŸ-CELL PATHOGENESIS AND TREATING DIABETES	20191202
WO-2021096496-A1	Methods for forming aryl carbon-nitrogen bonds using light and photoreactors useful for conducting such reactions	20191112
WO-2020155595-A1	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor	20190201
US-2020199114-A1	Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same	20181018
EP-3699173-A1	Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same	20181018

PMID	Publication Date	Title	Journal
22159308	20120214	After-effects of lithium-mediated alumination of 3-iodoanisole: isolation of molecular salt elimination and trapped-benzyne products	Dalton transactions (Cambridge, England : 2003)
17559277	20070706	Regioselective synthesis of 4- and 7-alkoxyindoles from 2,3-dihalophenols: application to the preparation of indole inhibitors of phospholipase A2	The Journal of organic chemistry
17902084	20070101	Palladium-catalyzed aminocarbonylation of aryl chlorides at atmospheric pressure: the dual role of sodium phenoxide	Angewandte Chemie (International ed. in English)
11545526	20010901	Chlorometabolite production by the ecologically important white rot fungus Bjerkandera adusta	Chemosphere

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.0185425
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.0185425
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3