-
Name
Dimethyl nitromalonate
- EINECS
- CAS No. 5437-67-2
- Density 1.312 g/mL at 25 °C(lit.)
- Solubility
- Melting Point
- Formula C5H7 N O6
- Boiling Point 282.2 °C at 760 mmHg
- Molecular Weight 177.114
- Flash Point 94.9 °C
- Transport Information
- Appearance
- Safety 26-37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Malonicacid, nitro-, dimethyl ester (6CI,7CI,8CI); Propanedioic acid, nitro-, dimethylester (9CI); Dimethyl nitromalonate; NSC 16174
- PSA 98.42000
- LogP -0.49910
Dimethyl nitromalonate Chemical Properties
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IUPAC Name: Dimethyl 2-nitropropanedioate
Canonical SMILES: COC(=O)C(C(=O)OC)[N+](=O)[O-]
InChI: InChI=1S/C5H7NO6/c1-11-4(7)3(6(9)10)5(8)12-2/h3H,1-2H3
InChIKey: GLKRAUOJZYHDSB-UHFFFAOYSA-N
Molecular Weight: 177.11218 [g/mol]
Molecular Formula: C5H7NO6
XLogP3-AA: 0.2
H-Bond Donor: 0
H-Bond Acceptor: 6
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 177.027337
MonoIsotopic Mass: 177.027337
Topological Polar Surface Area: 95.7
Heavy Atom Count: 12
Complexity: 191
Index of Refraction: 1.442
Molar Refractivity: 34.74 cm3
Molar Volume: 131.1 cm3
Surface Tension: 43.2 dyne/cm
Density: 1.35 g/cm3
Flash Point: 94.9 °C
Enthalpy of Vaporization: 52.1 kJ/mol
Boiling Point: 282.2 °C at 760 mmHg
Vapour Pressure of Dimethyl nitromalonate (CAS NO.5437-67-2): 0.00341 mmHg at 25 °C
Dimethyl nitromalonate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany of Dimethyl nitromalonate (CAS NO.5437-67-2): 3
Dimethyl nitromalonate Specification
Dimethyl nitromalonate (CAS NO.5437-67-2), its Synonyms are Propanedioic acid, 2-nitro-, dimethyl ester ; Dimethyl 2-nitromalonate ; Nitromalonic acid dimethyl ester ; 2-Nitromalonic acid dimethyl ester .
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