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Substance Name: Triclofos [INN:BAN]
RN: 306-52-5
UNII: J712EO9048
InChIKey: YYQRGCZGSFRBAM-UHFFFAOYSA-N

Note

  • Derivative 7 metabolic precursor of trichloroethanol.

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C2-H4-Cl3-O4-P

Molecular Weight

  • 229.3826
 
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Names and Synonyms

Results Name

  • Triclofos [INN:BAN]

Name of Substance

  • Triclofos
  • Triclofos [INN:BAN]

Synonyms

  • 2,2,2-Trichloroethanol dihydrogen phosphate
  • 2,2,2-Trichloroethyl dihydrogen phosphate
  • 2,2,2-Trichloroethyl phosphate
  • BRN 1841552
  • EINECS 206-185-6
  • Ethanol, 2,2,2-trichloro-, dihydrogen phosphate
  • HSDB 3276
  • Phosphoric acid, 2,2,2-trichloroethyl ester
  • Sch 10159
  • TCEP
  • Trichlophos
  • Trichlorethyl phosphate
  • Trichloroethanol 1-phosphate
  • Trichloroethanol-1-phosphate
  • Trichloroethyl dihydrogen phosphate
  • Trichloroethyl phosphate
  • Trichloryl
  • Triclofos
  • Triclofosa
  • Triclofosa [INN-Spanish]
  • Triclofoso
  • Triclofoso [DCIT]
  • Triclofosum
  • Triclofosum [INN-Latin]
  • Tricloryl
  • Triclos
  • UNII-J712EO9048

Systematic Names

  • 2,2,2-Trichloroethanol, dihydrogen phosphate
  • Ethanol, 2,2,2-trichloro-, dihydrogen phosphate
  • Triclofos

Registry Numbers

CAS Registry Number

  • 306-52-5

FDA UNII

  • J712EO9048

Other Registry Numbers

  • 8060-81-9
  • 857522-20-4

Related Registry Number

  • 7246-20-0 (mono-hydrochloride salt)

System Generated Number

  • 0000306525

Structure Descriptors

InChI

1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)

InChIKey

YYQRGCZGSFRBAM-UHFFFAOYSA-N

Smiles

C(COP(O)(O)=O)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1013mg/kg (1013mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TETANY

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 54(9), Pg. 77, 1989.
mouse LD50 oral 850mg/kg (850mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(11), Pg. 101, 1968.
rat LD50 oral 850mg/kg (850mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(11), Pg. 101, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.130 (none)   EST
Water Solubility 3310 mg/L 25 EST
Vapor Pressure 2.13E-06 mm Hg 25 EST
Henry's Law Constant 1.41E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.60E-12 cm3/molecule-sec 25 EST

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