4721-16-8

Basic information

• Product Name: Heptylphosphonic Acid
• Synonyms: Heptylphosphonic Acid;n-Heptylphosphonic acid
• CAS NO: 4721-16-8
• Molecular Formula: C₇H₁₇O₃P
• Molecular Weight: 180.181841
• EINECS: -0
• Mol File: 4721-16-8.mol
• Article Data: 2

Chemical Properties

• Melting Point: 105.0 to 109.0 °C
• Appearance: /
• Solubility: soluble in Methanol
• CAS DataBase Reference: Heptylphosphonic Acid(CAS DataBase Reference)
• NIST Chemistry Reference: Heptylphosphonic Acid(4721-16-8)
• EPA Substance Registry System: Heptylphosphonic Acid(4721-16-8)

Safety Data

• RIDADR: UN 3261 8/PG III
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 4721-16-8(Hazardous Substances Data)

Upstream product

• 7420-80-6 (1-hydroxy-heptyl)-phosphonic acid 
• 83714-42-5 heptyl-phosphonic acid dibutyl ester 
• 142-82-5 n-heptane 
• 629-04-9 1-Bromoheptane 
• 111-71-7 heptanal 
• 6172-70-9 dimethyl heptylphosphonate 
• 764-11-4 heptylphosphonous dichloride 

Downstream Products

• 764-11-4 heptylphosphonous dichloride 
• 376586-89-9 C₅₆H₉₀N₂O₂₈P₂S₂ 
• 376586-63-9 6'-O-p-aminophenyl-6-heptylphosphonatosucrose 

Relevant articles and documents

Synthesis of Long-Chain n-Alkylphosphonic Acids by Phosphonylation of Alkyl Bromides with Red Phosphorus and Superbase under Micellar/Phase Transfer Catalysis

Long-chain n-Alkylphosphonic acids, AlkP(O)(OH)2, are synthesized in up to 91 % yield (mostly 40–60 %) by straightforward phosphonylation of alkyl bromides (AlkBr, Alk=C4–C18) with red phosphorus (Pn) in the multiphase KOH/H2O/toluene system in the presence of 2–10 mol % of cetyltrimethylammonium bromide (CTAB), acting as a micellar/phase transfer catalyst and as a generator/transporter of superbasic hydroxide anions, the intermediate potassium phosphinates being in situ oxidized/neutralized by nitric acid. The key steps of the phosphonylation mechanism are the P?P bond cleavage of Pn polymeric molecules by superbasic ?OH anions, dissolved in the CTAB micelles, and phase transfer of polyphosphide anions to the organic phase and their alkylation with AlkBr.