3,5-Difluorophenyl isocyanate

• CAS: 83594-83-6
• Catalog Number: ACM83594836
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 155.10
• Molecular Formula: C₇H₃F₂NO
• Synonyms: 1,3-difluoro-5-isocyanatobenzene, 83594-83-6, 3,5-Difluorophenyl isocyanate, 3,5-Difluorophenylisocyanate, ZINC02389320, PubChem4454, AC1MCV6U, ACMC-1BK6P, KSC650Q9D, 516562_ALDRICH, CTK5F0891, MolPort-001-771-573, ACT13184, ALBB-003021, Benzene,1,3-difluoro-5-isocyanato-, GEO-01060, SBB046948, STK502541, AKOS000190694, AB10803
• IUPAC Name: 1,3-difluoro-5-isocyanatobenzene
• Canonical SMILES: C1=C(C=C(C=C1F)F)N=C=O
• InChI Key: WUCCJYOIAJTFFQ-UHFFFAOYSA-N
• Boiling Point: 159ºC(lit.)
• Flash Point: 130 °F
• Density: 1.31 g/mL at 25ºC(lit.)
• Exact Mass: 155.01800
• Hazard Statements: H302 + H312 + H332-H315-H319-H335
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• RIDADR: UN 3080PSN1 3(6.1) / PGII
• Safety Description: 16-26-36/37/39
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3,5-Difluorophenyl isocyanate?

The molecular formula of 3,5-Difluorophenyl isocyanate is C7H3F2NO.

What is the molecular weight of 3,5-Difluorophenyl isocyanate?

The molecular weight of 3,5-Difluorophenyl isocyanate is 155.10 g/mol.

What are some synonyms for 3,5-Difluorophenyl isocyanate?

Some synonyms for 3,5-Difluorophenyl isocyanate include 1,3-difluoro-5-isocyanatobenzene and 3,5-difluoro-1-isocyanatobenzene.

What is the InChIKey of 3,5-Difluorophenyl isocyanate?

The InChIKey of 3,5-Difluorophenyl isocyanate is WUCCJYOIAJTFFQ-UHFFFAOYSA-N.

What is the XLogP3-AA value for 3,5-Difluorophenyl isocyanate?

The XLogP3-AA value for 3,5-Difluorophenyl isocyanate is 2.9.

How many hydrogen bond acceptor counts does 3,5-Difluorophenyl isocyanate have?

3,5-Difluorophenyl isocyanate has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 3,5-Difluorophenyl isocyanate?

The topological polar surface area of 3,5-Difluorophenyl isocyanate is 29.4 2.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the defined atom stereocenter count of 3,5-Difluorophenyl isocyanate?

The defined atom stereocenter count is 0 for 3,5-Difluorophenyl isocyanate.

When was the molecule created and last modified in PubChem?

The molecule was created on July 19, 2005, and last modified on December 23, 2023 in PubChem.