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| Name |
Dimethyl nitromalonate |
EINECS | N/A |
| CAS No. | 5437-67-2 | Density | 1.312 g/mL at 25 °C(lit.) |
| PSA | 98.42000 | LogP | -0.49910 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H7 N O6 | Boiling Point | 282.2 °C at 760 mmHg |
| Molecular Weight | 177.114 | Flash Point | 94.9 °C |
| Transport Information | N/A | Appearance | N/A |
| 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 |
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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