3,5-Dichloroanisole - CAS 33719-74-3

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

Technical Data

IUPAC Name:	1,3-dichloro-5-methoxybenzene
Description:	3,5-Dichloroanisole (CAS# 33719-74-3) is a chlorinated anisole derivative, possessing possible antibacterial activity. It is also an organic building block that can be used for the synthesis of chlorinated chemical compounds, such as polychlorinated dibenzofurans (PCDD/F).
Molecular Weight:	177.03
Molecular Formula:	C7H6Cl2O
Canonical SMILES:	COC1=CC(=CC(=C1)Cl)Cl
InChI:	InChI=1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChI Key:	SSNXYMVLSOMJLU-UHFFFAOYSA-N
Boiling Point:	97 °C 7.6 mmHg
Melting Point:	39-41 °C (dec.)
Purity:	95 %
Density:	1.289 g/cm³
Appearance:	Whitetoyellowcrystalpowde
MDL:	MFCD00000589
LogP:	3.00200
Vapor Pressure:	0.16 [mmHg]

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

Publication Number	Title	Priority Date
CN-113511960-A	Synthesis method of 1-chloro-3-methoxy-5-methylbenzene	20210820
CN-110177783-A	For treating the hormone receptor modulator of metabolic condition and illness	20160823
US-2019127337-A1	Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute	20160415
WO-2017177979-A1	Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute	20160415
US-10759765-B2	Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute	20160415

Complexity:	97.8
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:	3.8