2-FLUOROBENZYL ISOCYANATE

• CAS: 132740-44-4
• Catalog Number: ACM132740444
• Category: Other Products; Aryl Fluorinated Building Blocks
• Molecular Weight: 151.14
• Molecular Formula: C8H6FNO
• Synonyms: 2-Fluorobenzyl isocyanate, 1-fluoro-2-(isocyanatomethyl)benzene, 132740-44-4, AC1LD7D4, AC1Q4L7M, ACMC-1C1G6, 516546_ALDRICH, CTK4B8085, MolPort-001-794-257, AKOS009156579, AG-D-66564, 1-fluoranyl-2-(isocyanatomethyl)benzene, benzene, 1-fluoro-2-(isocyanatomethyl)-, BP-20264, KB-82308, FT-0643183, A806487, InChI=1/C8H6FNO/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H
• IUPAC Name: 1-fluoro-2-(isocyanatomethyl)benzene
• Canonical SMILES: C1=CC=C(C(=C1)CN=C=O)F
• InChI Key: UKESSRSRKDVNBC-UHFFFAOYSA-N
• Boiling Point: 202ºC(lit.)
• Flash Point: 195 °F
• Density: 1.18 g/mL at 25ºC(lit.)
• Exact Mass: 151.04300
• Hazard Statements: Xn
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: S26
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-Fluorobenzyl isocyanate?

The molecular formula of 2-Fluorobenzyl isocyanate is C8H6FNO.

What is the molecular weight of 2-Fluorobenzyl isocyanate?

The molecular weight of 2-Fluorobenzyl isocyanate is 151.14 g/mol.

What is the IUPAC name of 2-Fluorobenzyl isocyanate?

The IUPAC name of 2-Fluorobenzyl isocyanate is 1-fluoro-2-(isocyanatomethyl)benzene.

What is the InChI of 2-Fluorobenzyl isocyanate?

The InChI of 2-Fluorobenzyl isocyanate is InChI=1S/C8H6FNO/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2.

What is the InChIKey of 2-Fluorobenzyl isocyanate?

The InChIKey of 2-Fluorobenzyl isocyanate is UKESSRSRKDVNBC-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Fluorobenzyl isocyanate?

The canonical SMILES of 2-Fluorobenzyl isocyanate is C1=CC=C(C(=C1)CN=C=O)F.

What is the CAS number of 2-Fluorobenzyl isocyanate?

The CAS number of 2-Fluorobenzyl isocyanate is 132740-44-4.

What is the European Community (EC) number of 2-Fluorobenzyl isocyanate?

The European Community (EC) number of 2-Fluorobenzyl isocyanate is 625-466-8.

What is the XLogP3 value of 2-Fluorobenzyl isocyanate?

The XLogP3 value of 2-Fluorobenzyl isocyanate is 2.9.

Is 2-Fluorobenzyl isocyanate a canonicalized compound?

Yes, 2-Fluorobenzyl isocyanate is a canonicalized compound.