2,3-Difluorotoluene

• CAS: 3828-49-7
• Catalog Number: ACM3828497
• Category: Aryl
• Molecular Weight: 128.12
• Molecular Formula: C₇H₆F₂
• Synonyms: 2,3-Difluorotoluene, 632899_ALDRICH, JRD-0799, TL8002801, 3828-49-7
• IUPAC Name: 1,2-difluoro-3-methylbenzene
• Canonical SMILES: CC1=C(C(=CC=C1)F)F
• InChI Key: ZNEHIDGAPGVZSA-UHFFFAOYSA-N
• Boiling Point: 119-121ºC
• Flash Point: 15ºC
• Density: 1.096
• Appearance: colorless to light yellow liquid
• Exact Mass: 128.04400
• Hazard Statements: H302 + H312 + H332-H317-H411
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Packing Group: II
• RIDADR: NONH for all modes of transport
• Safety Description: S16-S26-S39
• Symbol: GHS07
• WGK Germany: 2

Custom Q&A

What is the PubChem CID for 2,3-Difluorotoluene?

The PubChem CID for 2,3-Difluorotoluene is 2774228.

When was 2,3-Difluorotoluene created according to the reference?

2,3-Difluorotoluene was created on July 19, 2005.

What is the molecular formula of 2,3-Difluorotoluene?

The molecular formula of 2,3-Difluorotoluene is C7H6F2.

How is the IUPAC name of 2,3-Difluorotoluene computed?

The IUPAC name of 2,3-Difluorotoluene is computed by Lexichem TK 2.7.0.

What is the Canonical SMILES for 2,3-Difluorotoluene?

The Canonical SMILES for 2,3-Difluorotoluene is CC1=C(C(=CC=C1)F)F.

How many hydrogen bond acceptor counts does 2,3-Difluorotoluene have?

2,3-Difluorotoluene has 2 hydrogen bond acceptor counts.

Is 2,3-Difluorotoluene a covalently-bonded unit?

Yes, 2,3-Difluorotoluene is a covalently-bonded unit.

What is the XLogP3-AA value of 2,3-Difluorotoluene?

The XLogP3-AA value of 2,3-Difluorotoluene is 2.5.

How many rotatable bond counts does 2,3-Difluorotoluene have?

2,3-Difluorotoluene has 0 rotatable bond counts.

What is the complexity value of 2,3-Difluorotoluene?

The complexity value of 2,3-Difluorotoluene is 92.9.