Chemical Properties of Zytron (CAS 299-85-4)

InChI

InChI=1S/C10H14Cl2NO2PS/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,13,17)

InChI Key

PJFGPJQBWSEWKX-UHFFFAOYSA-N

Formula

C10H14Cl2NO2PS

SMILES

COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

314.17

CAS

299-85-4

Other Names

Phosphoramidothioic acid, (1-methylethyl)-, O-(2,4-dichlorophenyl) O-methyl ester
Phosphoramidothioic acid, isopropyl-, O-(2,4-dichlorophenyl) O-methyl ester
Dow 1329
DMPA (Herbicide)
ENT 25647
K 22023
O-(2,4-Dichlorophenyl) O-Methyl isopropylphosphoramidothioate
O-(2,4-Dichlorophenyl) O-methyl N-isopropylphosphoramidothioate
DMPA
Dowco 118
(1-Methylethyl)phosphoramidothioic acid O-(2,4-dichlorophenyl) O-methyl ester
Isopropylphosphoramidothioic acid, O-2,4-dichlorophenyl O-methyl ester
O-Methyl-O-(2,4-dichlorfenyl)ester kyseliny isopropylamidothiofosforecne
OMS 115
Phenol, 2,4-dichloro-, O-ester with O-methyl isopropylphosphoramidothioate
O-(2,4-dichlorophenyl) O-methyl-(1-methylethyl) phosphoramidothioate

Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
T_fus : Normal melting (fusion) point (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-0.86		Crippen Calculated Property
logP_oct/wat	4.241		Crippen Calculated Property
McVol	211.010	ml/mol	McGowan Calculated Property
I_np	[1942.00; 1969.00]
I_np	1942.00		NIST
I_np	1969.00		NIST
T_fus	[322.39; 325.00]	K
T_fus	322.39 ± 0.20	K	NIST
T_fus	325.00 ± 0.20	K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Δ_fusH	29.25	kJ/mol	321.50	NIST

Similar Compounds

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