Chemical Properties of Metrifonate (CAS 52-68-6)

InChI

InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3

InChI Key

NFACJZMKEDPNKN-UHFFFAOYSA-N

Formula

C4H8Cl3O4P

SMILES

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

Molecular Weight¹

257.44

CAS

52-68-6

Other Names

• (+/-)-Trichlorfon
• (1-Hydroxy-2,2,2-trichloroethyl)phosphonic acid, dimethyl ester
• (2,2,2-Trichloro-1-hydroxyethyl) dimethylphosphonate
• (2,2,2-Trichloro-1-hydroxyethyl)phosphonate, dimethyl ester
• (2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid dimethyl ester
• 1-Hydroxy-2,2,2-trichloro-ethyle phosphonate de dimethyle
• 1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester
• Agroforotox
• Anthon
• BAY 15922
• Bay-L 1359
• Bayer L 1359
• Bilarcil
• Bovinox
• Briten
• Briton
• Cekufon
• Chlorak
• Chlorofos
• Chloroftalm
• Chlorophos
• Chlorophosciclosom
• Chlorophthalm
• Chloroxyphos
• Clorofos
• Combot
• DEP
• DEP (Pesticide)
• DETF
• Danex
• Denkaphon
• Dimethoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphine oxide
• Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate
• Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
• Dimethyl (trichlorohydroxyethyl)phosphonate
• Dimetox
• Dioxaphos
• Dipterax
• Dipterex
• Dipterex 50
• Dipterex WP 80
• Diptevur
• Ditrifon
• Dylox
• Dyrex
• Dyvon
• ENT 19,763
• Equino-Aid
• Ertefon
• Flibol E
• Fliegenteller
• Forotox
• Foschlor
• Foschlor R
• Foschlor R 50
• Foschlorem
• Hypodermacid
• Khloroftalm
• Loisol
• Masoten
• Mazoten
• Methyl Chlorophos
• Metifonate
• Metriphonate
• NCI-C54831
• Neguron
• Neguvon
• O,O-Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphate
• O,O-Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate
• O,O-Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
• O,O-Dimethyl (2,2,2-trichlorohydroxyethyl)phosphonate
• O,O-Dimethyl-(1-hydroxy-2,2,2-trichloraethyl)phosphosaeure ester
• O,O-Dimethyl-(1-hydroxy-2,2,2-trichlorathyl)-phosphat
• O,O-Dimethyl-(2,2,2-trichloor-1-hydroxy-ethyl)-fosfonaat
• O,O-Dimethyl-(2,2,2-trichlor-1-hydroxy-aethyl)phosphonat
• O,O-Dimethyl-1-oxy-2,2,2-trichloroethyl phosphonate
• O,O-Dimetil-(2,2,2-tricloro-1-idrossi-etil)-fosfonato
• OMS 800
• Onefon
• Phoschlor
• Phoschlor R50
• Phosphonic acid, (1-hydroxy-2,2,2-trichloroethyl)-, dimethyl ester
• Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester
• Phosphonic acid, P-(2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester
• Polfoschlor
• Proxol
• Ricifon
• Ritsifon
• Soldep
• Sotipox
• Trichloorfon
• Trichlorfon
• Trichlorofon
• Trichlorophon
• Trichlorphon
• Trichlorphon FN
• Trinex
• Tugon
• Volfartol
• Votexit
• WEC 50
• Wotexit
• Zeltivar
• hydroxy-dimethoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphanium

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5253		Relay (... Calculated Property
ΔfG°	-445.27	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-819.28	kJ/mol	Relay (... Calculated Property
ΔvapH°	80.39	kJ/mol	Relay (... Calculated Property
IE	10.70	eV	Relay (... Calculated Property
log10WS	[-0.32; -0.22]
log10WS	-0.32		Aq. Sol...
log10WS	-0.22		Estimat...
logPoct/wat	2.161		Crippen Calculated Property
McVol	147.880	ml/mol	McGowan Calculated Property
Pc	2783.02	kPa	Relay (... Calculated Property ⚠️
Inp	[1402.00; 1431.00]
Inp	1431.00		NIST
Inp	1402.00		NIST
Tboil	546.66	K	Relay (... Calculated Property
Tc	730.56	K	Relay (... Calculated Property
Tfus	288.57	K	Relay (... Calculated Property
Vc	0.529	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Metrifonate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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