Pentafluorophenyl chlorothionoformate

• CAS: 135192-53-9
• Catalog Number: ACM135192539
• Category: Other Products; Aryl Fluorinated Building Blocks
• Molecular Weight: 262.58
• Molecular Formula: C₇ClF₅OS
• Synonyms: Pentafluorophenyl chlorothionoformate, 135192-53-9, AC1NQ3JU, 347973_ALDRICH, O-Perfluorophenyl Chlorothioformate, Pentafluorophenyl Thionochloroformate, P1267, Chlorothioformic Acid O-Pentafluorophenyl Ester, O-(2,3,4,5,6-pentafluorophenyl) chloromethanethioate
• IUPAC Name: O-(2,3,4,5,6-pentafluorophenyl) chloromethanethioate
• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=S)Cl
• InChI Key: DKFQHZNKNWNZCO-UHFFFAOYSA-N
• Boiling Point: 98-102ºC50 mm Hg(lit.)
• Flash Point: 189 °F
• Density: 1.635 g/mL at 25ºC(lit.)
• Appearance: Solid
• Exact Mass: 261.92800
• Hazard Statements: H314
• H-Bond Acceptor: 7
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: 26-27-36/37/39-45
• Symbol: GHS05

Custom Q&A

What is the PubChem CID of pentafluorophenyl chlorothionoformate?

The PubChem CID of pentafluorophenyl chlorothionoformate is 5214725.

What is the molecular formula of pentafluorophenyl chlorothionoformate?

The molecular formula of pentafluorophenyl chlorothionoformate is C7ClF5OS.

What is the molecular weight of pentafluorophenyl chlorothionoformate?

The molecular weight of pentafluorophenyl chlorothionoformate is 262.58 g/mol.

What is the IUPAC name of pentafluorophenyl chlorothionoformate?

The IUPAC name of pentafluorophenyl chlorothionoformate is O-(2,3,4,5,6-pentafluorophenyl) chloromethanethioate.

What is the InChI of pentafluorophenyl chlorothionoformate?

The InChI of pentafluorophenyl chlorothionoformate is InChI=1S/C7ClF5OS/c8-7(15)14-6-4(12)2(10)1(9)3(11)5(6)13.

What is the InChIKey of pentafluorophenyl chlorothionoformate?

The InChIKey of pentafluorophenyl chlorothionoformate is DKFQHZNKNWNZCO-UHFFFAOYSA-N.

What is the canonical SMILES of pentafluorophenyl chlorothionoformate?

The canonical SMILES of pentafluorophenyl chlorothionoformate is C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=S)Cl.

What is the CAS number of pentafluorophenyl chlorothionoformate?

The CAS number of pentafluorophenyl chlorothionoformate is 135192-53-9.

What is the European Community (EC) number of pentafluorophenyl chlorothionoformate?

The European Community (EC) number of pentafluorophenyl chlorothionoformate is 628-729-5.

Is the compound canonicalized?

Yes, the compound is canonicalized.