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1-Chloro-3-(4-chlorophenoxy)benzene

1-Chloro-3-(4-chlorophenoxy)benzene - CAS 6842-62-2

Name: 1-Chloro-3-(4-chlorophenoxy)benzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033549
Product Name:	1-Chloro-3-(4-chlorophenoxy)benzene
CAS:	6842-62-2
Synonyms:	1-chloro-3-(4-chlorophenoxy)benzene; 1-chloro-3-(4-chlorophenoxy)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-3-(4-chlorophenoxy)benzene
Description:	1-Chloro-3-(4-chlorophenoxy)benzene (CAS# 6842-62-2) is a useful research chemical compound.
Molecular Weight:	239.10
Molecular Formula:	C12H8Cl2O
Canonical SMILES:	C1=CC(=CC(=C1)Cl)OC2=CC=C(C=C2)Cl
InChI:	InChI=1S/C12H8Cl2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H
InChI Key:	HPRGYUWRGCTBAV-UHFFFAOYSA-N
Boiling Point:	113 °C (0.5 mmHg)
Density:	1.29 g/cm³
MDL:	MFCD00043876
LogP:	4.78570

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113336715-A	Preparation method of triazole compound containing dioxolane and intermediate thereof	20210804
CN-113247996-A	Method for treating aluminum trichloride wastewater	20210208
CN-112707799-A	Method for preparing 3,4' -dichlorodiphenyl ether from difenoconazole isomer	20201228
CN-112300137-A	Synthetic method of high-purity difenoconazole	20200824
WO-2021182530-A1	Method for producing azole derivative, bromohydrin derivative and method for producing same, and method for producing 1-chloro-3-(4-chlorophenoxy)benzene	20200310

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.9952203
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	237.9952203
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.2