3,4-Dichloroanisole - CAS 36404-30-5

Catalog:	BB022957
Product Name:	3,4-Dichloroanisole
CAS:	36404-30-5
Synonyms:	1,2-dichloro-4-methoxybenzene; 1,2-dichloro-4-methoxybenzene

Technical Data

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Computed Properties

IUPAC Name:	1,2-dichloro-4-methoxybenzene
Description:	3,4-Dichloroanisole (CAS# 36404-30-5 ) is a useful research chemical.
Molecular Weight:	177.03
Molecular Formula:	C7H6Cl2O
Canonical SMILES:	COC1=CC(=C(C=C1)Cl)Cl
InChI:	InChI=1S/C7H6Cl2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChI Key:	VISJRVXHPNMYRH-UHFFFAOYSA-N
Boiling Point:	200-204 °C
Density:	1.33 g/cm³
MDL:	MFCD00070785
LogP:	3.00200

Publication Number	Title	Priority Date
WO-2021071802-A1	Aryl heterocyclic compounds as kv1.3 potassium shaker channel blockers	20191007
WO-2021071806-A1	Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers	20191007
CN-108395401-A	A kind of preparation method for treating leukemia medicament Bosutinib intermediate	20180323
CN-107652249-B	Synthesis process of 1, 4 benzoxazinone compound	20170926
US-11040954-B1	CXCR3 receptor agonists	20160902

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.9795702
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.9795702
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4