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Substance Name: Phenylphosphonic acid
RN: 1571-33-1
UNII: BYD76T2868
InChIKey: QLZHNIAADXEJJP-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H7-O3-P

Molecular Weight

  • 158.092
 
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Names and Synonyms

Name of Substance

  • Phenylphosphonic acid

Synonyms

  • 4-16-00-01068 (Beilstein Handbook Reference)
  • AI3-52844
  • Benzenephosphonic acid
  • BRN 2245168
  • EINECS 216-388-1
  • NSC 145
  • Phenylphosphonic acid
  • UNII-BYD76T2868

Systematic Names

  • Phenylphosphonic acid
  • Phosphonic acid, P-phenyl-
  • Phosphonic acid, phenyl-

Registry Numbers

CAS Registry Number

  • 1571-33-1

FDA UNII

  • BYD76T2868

Related Registry Number

  • 24391-19-3 (mono-calcium salt)

System Generated Number

  • 0001571331

Structure Descriptors

InChI

1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

InChIKey

QLZHNIAADXEJJP-UHFFFAOYSA-N

Smiles

c1(ccccc1)P(O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 55, 1950.
rat LD50 oral 2gm/kg (2000mg/kg) GASTROINTESTINAL: OTHER CHANGES

BLOOD: HEMORRHAGE
National Technical Information Service. Vol. OTS0545369,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 163-166 deg C   EXP
pKa Dissociation Constant 1.83 (none)   EXP
log P (octanol-water) 0.54 (none)   EXP
Water Solubility 1.90E+05 mg/L 15 EXP
Vapor Pressure 1.57E-06 mm Hg 25 EST
Henry's Law Constant 3.12E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.23E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.