Chemical Properties of Phosalone (CAS 2310-17-0)

InChI

InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3

InChI Key

IOUNQDKNJZEDEP-UHFFFAOYSA-N

Formula

SMILES

CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21

Molecular Weight¹

336.83

CAS

2310-17-0

Other Names

11974 RP
3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone
6-Chloro-3-[O,O-(diethyldithiophosphoryl)methyl]benzoxazolone
6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
Agria 1060
Azofene
Benzophosphate
Chipman 11974
ENT 27163
Fosalon
Fosalone
Fozalon
NIA 9241
O,O-Diethyl phosphorodithioate S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone
P 974
Phasolon
Phosalon
Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone
Phosphorodithioic acid, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl ester
Phozalon
RP 11974
Rhodia RP 11974
Rubitox
S-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl diethyl phosphorothiolothionate
S-6-chloro-2,3-dihydro-2-oxobenzoxazol-3-ylmethyl O,O-diethylphosphorodithioate
S-[(6-Chloro-2-oxo-3(2H)-benzoxazoly)methyl] O,O-diethyl phosphorodithioate
Zolone
Zolone PM
Zoolon

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	[-5.23; -5.23]
log₁₀WS	-5.23		Aq. Sol...
log₁₀WS	-5.23		Estimat...
logP_oct/wat	4.236		Crippen Calculated Property
McVol	239.880	ml/mol	McGowan Calculated Property
I_np	[2461.00; 2537.00]
I_np	2480.00		NIST
I_np	2461.00		NIST
I_np	2476.00		NIST
I_np	2537.00		NIST
I_np	2488.00		NIST
I_np	2537.00		NIST
I_np	2480.00		NIST
I_np	2537.00		NIST
I_np	2476.00		NIST
T_fus	[320.90; 321.90]	K
T_fus	320.90	K	Aq. Sol...
T_fus	321.56 ± 0.20	K	NIST
T_fus	321.90 ± 0.10	K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Δ_fusH	30.03	kJ/mol	320.00	NIST

Similar Compounds

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