(Difluoromethyl)benzene

• CAS: 455-31-2
• Catalog Number: ACM455312
• Category: Aryl
• Molecular Weight: 128.12
• Molecular Formula: C₇H₆BrF
• Synonyms: (difluoromethyl)benzene, difluoromethylbenzene, 455-31-2, benzene, (difluoromethyl)-, AC1LD0PQ, SureCN60955, Benzene,(difluoromethyl)-, CTK4I8864, MolPort-001-771-143, AKOS005256029, AG-B-62529, AG-F-58077, FT-0604911, X8304, C-6056, I01-14822, InChI=1/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7, (Difluoromethyl)benzene;Toluene, a,a-difluoro- (6CI,7CI,8CI);a,a-Difluorotoluene;Benzal fluoride
• IUPAC Name: difluoromethylbenzene
• Canonical SMILES: C1=CC=C(C=C1)C(F)F
• InChI Key: JDZLOJYSBBLXQD-UHFFFAOYSA-N
• Boiling Point: 140ºC at 760 mmHg
• Flash Point: 20.3ºC
• Density: 1.091 g/cm³
• Exact Mass: 128.04400
• Hazard Statements: H315-H318-H335-H410
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• RIDADR: UN 3077 9 / PGIII
• Symbol: GHS05

Custom Q&A

What is the PubChem CID of (difluoromethyl)benzene?

The PubChem CID of (difluoromethyl)benzene is 640452.

What is the molecular formula of (difluoromethyl)benzene?

The molecular formula of (difluoromethyl)benzene is C7H6F2.

What is the molecular weight of (difluoromethyl)benzene?

The molecular weight of (difluoromethyl)benzene is 128.12 g/mol.

What is the IUPAC name of (difluoromethyl)benzene?

The IUPAC name of (difluoromethyl)benzene is difluoromethylbenzene.

What is the InChI of (difluoromethyl)benzene?

The InChI of (difluoromethyl)benzene is InChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H.

What is the InChIKey of (difluoromethyl)benzene?

The InChIKey of (difluoromethyl)benzene is JDZLOJYSBBLXQD-UHFFFAOYSA-N.

What is the canonical SMILES of (difluoromethyl)benzene?

The canonical SMILES of (difluoromethyl)benzene is C1=CC=C(C=C1)C(F)F.

What is the CAS number of (difluoromethyl)benzene?

The CAS number of (difluoromethyl)benzene is 455-31-2.

What is the XLogP3 value of (difluoromethyl)benzene?

The XLogP3 value of (difluoromethyl)benzene is 2.5.

Is the compound (difluoromethyl)benzene canonicalized?

Yes, the compound (difluoromethyl)benzene is canonicalized.