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Cas Database |
| Name |
1-Methyl 2-nitroterephthalate |
EINECS | 252-360-5 |
| CAS No. | 35092-89-8 | Density | 1.484 g/cm3 |
| PSA | 109.42000 | LogP | 1.60280 |
| Solubility | N/A | Melting Point |
176-178 °C(lit.) |
| Formula | C9H7NO6 | Boiling Point | 393.4 °C at 760 mmHg |
| Molecular Weight | 225.158 | Flash Point | 191.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
2-Nitroterephthalic acid 1-methyl ester;4-Methoxycarbonyl-3-nitrobenzoic acid;NSC 151109; |
Article Data | 14 |
1-Methyl 2-nitroterephthalate Chemical Properties
IUPAC Name: 4-methoxycarbonyl-3-nitrobenzoic acid
Empirical Formula: C9H7NO6
Molecular Weight: 225.155g/mol
EINECS: 252-360-5
Structure of 1,4-Benzenedicarboxylicacid, 2-nitro-, 1-methyl ester (CAS NO.35092-89-8):
Index of Refraction: 1.594
Molar Refractivity: 51.5 cm3
Molar Volume: 151.6 cm3
Polarizability: 20.41×10-24cm3
Surface Tension: 64.4 dyne/cm
Density: 1.484 g/cm3
Flash Point: 191.7 °C
Enthalpy of Vaporization: 67.84 kJ/mol
Melting Point: 176-178 °C(lit.)
Boiling Point: 393.4 °C at 760 mmHg
Vapour Pressure: 6.81E-07 mmHg at 25°C
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;C8 to C9;Carbonyl Compounds;Esters
Canonical SMILES: COC(=O)C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C9H7NO6/c1-16-9(13)6-3-2-5(8(11)12)4-7(6)10(14)15/h2-4H,1H3,(H,11,12)
InChIKey: MIIADZYPHVTLPR-UHFFFAOYSA-N
1-Methyl 2-nitroterephthalate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 1
Hazard Note: Irritant
1-Methyl 2-nitroterephthalate Specification
1,4-Benzenedicarboxylicacid, 2-nitro-, 1-methyl ester , its cas register number is 35092-89-8. It also can be called Methyl hydrogen 2-nitroterephthalate . 1,4-Benzenedicarboxylicacid, 2-nitro-, 1-methyl ester (CAS NO.35092-89-8) is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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