1-Chloro-2-phenoxybenzene

Basic Information

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CAS Number

2689-07-8

Molecular Formula

C12H9ClO

Molecular Weight

204.66 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC=C(C=C1)OC2=CC=CC=C2Cl

InChI

InChI=1S/C12H9ClO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H

InChIKey

IPBRZLMGGXHHMS-UHFFFAOYSA-N

LogP

4.132300000000002

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

166

Synonyms & References

English

CS-0336103
J-509020
Ether, o-chlorophenyl phenyl
1-chloro-2-phenoxy-benzene
Y4PN8T6MU1
Q27294258
2689-07-8
InChI=1/C12H9ClO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
SCHEMBL3790160
NSC-39654
NSC 39654
A818656
o-Chlorophenyl phenyl ether
1-Chloro-2-phenoxybenzene
DTXSID90181397
O-CHLORODIPHENYL OXIDE
Benzene, 1-chloro-2-phenoxy-
FT-0634446
O-CHLORODIPHENYL ETHER
IPBRZLMGGXHHMS-UHFFFAOYSA-
AKOS015850236
2-Chlorodiphenyl ether
NSC39654
UNII-Y4PN8T6MU1
D87864
1-Chloro-2-phenoxybenzene #
PCDE 1
2-CHLORODIPHENYL ETHER
1-chloranyl-2-phenoxy-benzene
2-Chlor-diphenylaether
Benzene,1-chloro-2-phenoxy

MDL Number

MFCD00626436

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1-Chloro-2-phenoxybenzene (CAS: 2689-07-8)?

1-Chloro-2-phenoxybenzene (CAS: 2689-07-8) is a crystalline solid with a molecular weight of approximately 225.6 g/mol. It has a pKa of around 9.9 in water. The compound is only slightly soluble in water but more soluble in organic solvents like ethanol and dichloromethane. It is moderately reactive towards nucleophiles and electrophiles, making it useful in various synthetic reactions.

How is 1-Chloro-2-phenoxybenzene (CAS: 2689-07-8) typically synthesized?

1-Chloro-2-phenoxybenzene can be synthesized via a side-chain chlorination of 2-phenoxybenzoic acid. Commonly, this process involves heating the acid with thionyl chloride in an inert solvent like dichloromethane. The reaction is carried out in the presence of a catalyst, often a basic substance to enhance the reactivity. The yield is typically around 70-80%, with good selectivity towards the chloro substitution.

What industries use 1-Chloro-2-phenoxybenzene (CAS: 2689-07-8)?

1-Chloro-2-phenoxybenzene is used in a variety of industries including pharmaceuticals, where it serves as a precursor for drug synthesis, and in the production of organic pigments. It is also utilized in the development of sensors and as a component in certain polymer formulations. Its versatile nature makes it relevant across multiple sectors.

What precautions should be taken when handling 1-Chloro-2-phenoxybenzene (CAS: 2689-07-8)?

When handling 1-Chloro-2-phenoxybenzene (CAS: 2689-07-8), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the work is conducted in a fume hood to minimize exposure to vapors. Spills should be immediately cleaned up with appropriate absorbent materials. Always consult a safety data sheet (SDS) for detailed information on handling and disposal procedures.