4-Chloro-2-fluorophenyl isocyanate

• CAS: 51163-28-1
• Catalog Number: ACM51163281
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 171.56
• Molecular Formula: C₇H₃Br₂FO
• Synonyms: 4-chloro-2-fluoro-1-isocyanatobenzene, 4-Chloro-2-fluorophenyl isocyanate, 51163-28-1, ACMC-20amls, AC1NCFSG, 569100_ALDRICH, CTK1J0604, MolPort-003-937-060, ALBB-003019, SBB046946, STK502539, ZINC02509914, AKOS000177819, AG-A-73451, AG-F-72789, MCULE-1390870604, Benzene, 4-chloro-2-fluoro-1-isocyanato-, 69922-26-5
• IUPAC Name: 4-chloro-2-fluoro-1-isocyanatobenzene
• Canonical SMILES: C1=CC(=C(C=C1Cl)F)N=C=O
• InChI Key: HHFPUBQPIUYQJW-UHFFFAOYSA-N
• Boiling Point: 201-202ºC(lit.)
• Flash Point: 185 °F
• Density: 1.354 g/mL at 25ºC(lit.)
• Exact Mass: 170.98900
• Hazard Statements: H301-H319
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• RIDADR: UN 3265 8 / PGII
• Safety Description: 23-26-45
• Symbol: GHS06

Custom Q&A

What is the molecular formula of 4-Chloro-2-fluorophenyl isocyanate?

The molecular formula is C7H3ClFNO.

What are the synonyms of 4-Chloro-2-fluorophenyl isocyanate?

The synonyms are 4-chloro-2-fluoro-1-isocyanatobenzene and 2-fluoro-4-chlorophenyl isocyanate.

What is the molecular weight of 4-Chloro-2-fluorophenyl isocyanate?

The molecular weight is 171.55 g/mol.

When was 4-Chloro-2-fluorophenyl isocyanate created?

It was created on September 15, 2005.

When was 4-Chloro-2-fluorophenyl isocyanate modified?

It was last modified on December 23, 2023.

What is the IUPAC name of 4-Chloro-2-fluorophenyl isocyanate?

The IUPAC name is 4-chloro-2-fluoro-1-isocyanatobenzene.

What is the InChI of 4-Chloro-2-fluorophenyl isocyanate?

The InChI is InChI=1S/C7H3ClFNO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H.

What is the InChIKey of 4-Chloro-2-fluorophenyl isocyanate?

The InChIKey is HHFPUBQPIUYQJW-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Chloro-2-fluorophenyl isocyanate?

The canonical SMILES is C1=CC(=C(C=C1Cl)F)N=C=O.

What is the XLogP3-AA value of 4-Chloro-2-fluorophenyl isocyanate?

The XLogP3-AA value is 3.5.