4-Chlorodiphenyl ether - CAS 7005-72-3

Name: 4-Chlorodiphenyl ether
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1-chloro-4-phenoxybenzene
Description:	4-Chlorodiphenyl ether (CAS# 7005-72-3) is a standard for environmental testing and research. Biodegradability studies with organic priority pollutant compounds.
Molecular Weight:	204.65
Molecular Formula:	C12H9ClO
Canonical SMILES:	C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
InChI:	InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChI Key:	PGPNJCAMHOJTEF-UHFFFAOYSA-N
Boiling Point:	284 °C
Melting Point:	-8 °C
Purity:	95 %
Density:	1.193 g/cm³
Solubility:	3.3 mg/l at 25 °C
Appearance:	Liquid. density 1.193 g / cm3. insoluble or slightly soluble in water.
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00055431
LogP:	4.13230
Vapor Pressure:	0.0027 [mmHg]

GHS Hazard Statement:	H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112964795-A	Method for analyzing semi-volatile organic compounds in soil	20210205
CN-111919852-A	Seed treatment suspending agent and preparation method and application thereof	20200820
CN-111758734-A	Pesticide composition and application thereof	20200709
CN-111518050-A	Benzoxazole solid fluorescent material	20200521
WO-2021200841-A1	Glass-fiber-containing flame-retardant polycarbonate resin composition and molded object	20200330

PMID	Publication Date	Title	Journal
21580153	20091204	1-Benz-yloxy-4-chloro-benzene	Acta crystallographica. Section E, Structure reports online
18373284	20080101	Antifouling activity of sponge-derived polybrominated diphenyl ethers and synthetic analogues	Biofouling
16822593	20061101	Synthesis, characterization, antimicrobial and single crystal X-ray crystallographic studies of some new sulfonyl, 4-chloro phenoxy benzene and dibenzoazepine substituted benzamides	European journal of medicinal chemistry
16297962	20060401	Methods for synthesis of nonabromodiphenyl ethers and a chloro-nonabromodiphenyl ether	Chemosphere

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.0341926
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.0341926
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3