Chemical Properties of 2-Methylcyclosarin (CAS 85473-32-1)

InChI

InChI=1S/C8H16FO2P/c1-7-5-3-4-6-8(7)11-12(2,9)10/h7-8H,3-6H2,1-2H3

InChI Key

YBZCCTLVJWWETH-UHFFFAOYSA-N

Formula

C8H16FO2P

SMILES

CC1CCCCC1OP(C)(=O)F

Molecular Weight¹

194.18

CAS

85473-32-1

Other Names

• 2-Methylcyclohexyl methylphosphonofluoridate
• Phosphonofluoridic acid, 2-methylcyclohexyl ester
• Methylphosphonic acid, fluoroanhydride, 2-methylcyclohexyl ester
• 2-methylcyclohexyl methylphosphonofluorid

• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-4.15		Crippen Calculated Property
logPoct/wat	3.374		Crippen Calculated Property
McVol	146.690	ml/mol	McGowan Calculated Property
Inp	[1210.00; 1262.00]
Inp	1210.00		NIST
Inp	1212.00		NIST
Inp	1260.00		NIST
Inp	1262.00		NIST
Inp	1210.20		NIST
Inp	1211.70		NIST
Inp	1256.70		NIST
Inp	1258.50		NIST
Inp	1261.70		NIST
Inp	1262.00		NIST
Inp	1260.00		NIST
Inp	1262.00		NIST
Inp	1211.00		NIST
Inp	1210.00		NIST
Inp	1211.70		NIST
Inp	1262.00		NIST
Inp	1261.70		NIST
I	[1784.60; 1790.20]
I	1784.60		NIST
I	1790.20		NIST
I	1784.60		NIST

Similar Compounds

Find more compounds similar to 2-Methylcyclosarin.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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