2-Chloro-2,4,6-cycloheptatrien-1-one

• CAS: 3839-48-3
• Catalog Number: ACM3839483
• Category: Other Products; Alkenes
• Molecular Weight: 140.57
• Molecular Formula: C₇H₅ClO
• Synonyms: 2-chlorocyclohepta-2,4,6-trien-1-one; 2-Chlorotropone
• IUPAC Name: 2-chlorocyclohepta-2,4,6-trien-1-one
• Canonical SMILES: C1=CC=C(C(=O)C=C1)Cl
• InChI Key: MTHNMAUDCHXFMM-UHFFFAOYSA-N
• Boiling Point: 250.8ºC at 760 mmHg
• Melting Point: 64-67ºC
• Flash Point: 102.7ºC
• Density: 1.23g/cm³
• Exact Mass: 140.00300
• Hazard Statements: H319
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• RIDADR: UN 1987C 3 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2-Chloro-2,4,6-cycloheptatrien-1-one?

The molecular formula is C7H5ClO.

What is the molecular weight of 2-Chloro-2,4,6-cycloheptatrien-1-one?

The molecular weight is 140.56 g/mol.

What is the IUPAC name of 2-Chloro-2,4,6-cycloheptatrien-1-one?

The IUPAC name is 2-chlorocyclohepta-2,4,6-trien-1-one.

What is the InChI of 2-Chloro-2,4,6-cycloheptatrien-1-one?

The InChI is InChI=1S/C7H5ClO/c8-6-4-2-1-3-5-7(6)9/h1-5H.

What is the InChIKey of 2-Chloro-2,4,6-cycloheptatrien-1-one?

The InChIKey is MTHNMAUDCHXFMM-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Chloro-2,4,6-cycloheptatrien-1-one?

The canonical SMILES is C1=CC=C(C(=O)C=C1)Cl.

What is the CAS number of 2-Chloro-2,4,6-cycloheptatrien-1-one?

The CAS number is 3839-48-3.

What is the EC number of 2-Chloro-2,4,6-cycloheptatrien-1-one?

The EC number is 624-371-9.

What is the UNII of 2-Chloro-2,4,6-cycloheptatrien-1-one?

The UNII is 7Y65UFZ23T.

What is the XLogP3 value of 2-Chloro-2,4,6-cycloheptatrien-1-one?

The XLogP3 value is 1.5.