3-Chloro-2,6-difluorobenzaldehyde

• Catalog Number: ACM190011871
• Product Name: 3-Chloro-2,6-difluorobenzaldehyde
• CAS: 190011-87-1
• Category: Aryl Fluorinated Building Blocks
• Synonyms: 526592_ALDRICH, 3-Chloro-2,6-difluorobenzaldehyde, ZINC00157238, JRD-1002, CID736338, SBB003775, 190011-87-1
• IUPAC Name: 3-chloro-2,6-difluorobenzaldehyde
• Molecular Weight: 176.55
• Molecular Formula: C₇H₃ClFNO
• Canonical SMILES: C1=CC(=C(C(=C1F)C=O)F)Cl
• InChI Key: HFKZZEDGXXYRDW-UHFFFAOYSA-N
• Boiling Point: 207.8ºC at 760mmHg
• Melting Point: 46-49ºC
• Flash Point: 79.5ºC
• Density: 1.453g/cm³
• Exact Mass: 175.98400
• Hazard Statements: H302-H312-H332
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• RIDADR: UN 2811 6.1 / PGIII
• Safety Description: S26-S36
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Chloro-2,6-difluorobenzaldehyde?

The molecular formula is C7H3ClF2O.

What is the molecular weight of 3-Chloro-2,6-difluorobenzaldehyde?

The molecular weight is 176.55 g/mol.

What is the IUPAC name of 3-Chloro-2,6-difluorobenzaldehyde?

The IUPAC name is 3-chloro-2,6-difluorobenzaldehyde.

What is the InChI of 3-Chloro-2,6-difluorobenzaldehyde?

The InChI is InChI=1S/C7H3ClF2O/c8-5-1-2-6(9)4(3-11)7(5)10/h1-3H.

What is the InChIKey of 3-Chloro-2,6-difluorobenzaldehyde?

The InChIKey is HFKZZEDGXXYRDW-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Chloro-2,6-difluorobenzaldehyde?

The canonical SMILES is C1=CC(=C(C(=C1F)C=O)F)Cl.

What is the CAS number of 3-Chloro-2,6-difluorobenzaldehyde?

The CAS number is 190011-87-1.

What is the European Community (EC) number of 3-Chloro-2,6-difluorobenzaldehyde?

The European Community (EC) number is 622-634-2.

What is the DSSTox Substance ID of 3-Chloro-2,6-difluorobenzaldehyde?

The DSSTox Substance ID is DTXSID80353001.

Is 3-Chloro-2,6-difluorobenzaldehyde a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.