4-Chlorodiphenyl ether

• CAS: 7005-72-3
• Catalog Number: ACM7005723-1
• Category: Ethers
• Molecular Weight: 204.65
• Molecular Formula: C12H9ClO
• Synonyms: 4-Chlorophenyl phenyl ether
• IUPAC Name: 1-Chloro-4-phenoxybenzene
• 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: 161-162 °C
• Melting Point: -8 °C
• Flash Point: >230 °F
• Density: 1.193 g/mL
• Complexity: 158
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 204.0341926
• Formal Charge: 0
• Hazard Statements: H302
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 204.0341926
• Physical State: Liquid
• RIDADR: UN 3077 9 / PGIII
• Rotatable Bond Count: 2
• Symbol: GHS07
• Topological Polar Surface Area: 9.2 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Custom Q&A

What is the molecular formula of 4-Chlorodiphenyl ether?

The molecular formula of 4-Chlorodiphenyl ether is C12H9ClO.

What is the molecular weight of 4-Chlorodiphenyl ether?

The molecular weight of 4-Chlorodiphenyl ether is 204.65 g/mol.

Is 4-Chlorodiphenyl ether soluble in water?

4-Chlorodiphenyl ether is insoluble or slightly soluble in water.

What is the IUPAC name for 4-Chlorodiphenyl ether?

The IUPAC name for 4-Chlorodiphenyl ether is 1-chloro-4-phenoxybenzene.

What is the InChIKey for 4-Chlorodiphenyl ether?

The InChIKey for 4-Chlorodiphenyl ether is PGPNJCAMHOJTEF-UHFFFAOYSA-N.

What is the canonical SMILES representation of 4-Chlorodiphenyl ether?

The canonical SMILES representation of 4-Chlorodiphenyl ether is C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl.

What is the CAS number of 4-Chlorodiphenyl ether?

The CAS number of 4-Chlorodiphenyl ether is 7005-72-3.

What is the UNII of 4-Chlorodiphenyl ether?

The UNII of 4-Chlorodiphenyl ether is 5AY689Y3GH.

What is the XLogP3 value of 4-Chlorodiphenyl ether?

The XLogP3 value of 4-Chlorodiphenyl ether is 4.3.

How many hydrogen bond acceptor counts does 4-Chlorodiphenyl ether have?

4-Chlorodiphenyl ether has 1 hydrogen bond acceptor count.