CAS No.69425-53-2,1,1-Dimethoxy-2-nitroethane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69425-53-2
Name:	1,1-Dimethoxy-2-nitroethane
Article Data:	3

Formula:	C₄H₉NO₄
Molecular Weight:	135.12
Synonyms:	Nitroacetaldehydedimethyl acetal;
Density:	1.122 g/cm³
Boiling Point:	168.829 °C at 760 mmHg
Flash Point:	72.01 °C
PSA:	64.28000
LogP:	0.40520

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Specification

The Nitroacetaldehyde dimethyl acetal with the cas number 69425-53-2 is also called Ethane,1,1-dimethoxy-2-nitro-. The systematic name is 1,1-dimethoxy-2-nitroethane. Its molecular formula is C₄H₉NO₄. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 74; (8)ACD/KOC (pH 7.4): 61; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.28 Å²; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 30.052 cm³; (15)Molar Volume: 120.443 cm³; (16)Polarizability: 11.914×10^-24cm³; (17)Surface Tension: 32.042 dyne/cm; (18)Enthalpy of Vaporization: 40.526 kJ/mol ; (19)Vapour Pressure: 1.588 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)CC(OC)OC
(2)InChI: InChI=1/C4H9NO4/c1-8-4(9-2)3-5(6)7/h4H,3H2,1-2H3
(3)InChIKey: DSNXPQCFISEEMR-UHFFFAOYAB