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5292-45-5

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Basic Information
CAS No.: 5292-45-5
Name: Dimethyl nitroterephthalate
Article Data: 17
Molecular Structure:
Molecular Structure of 5292-45-5 (Dimethyl nitroterephthalate)
Formula: C10H9 N O6
Molecular Weight: 239.185
Synonyms: 1,4-Benzenedicarboxylicacid, 2-nitro-, dimethyl ester (9CI); Terephthalic acid, nitro-, dimethyl ester(6CI,7CI,8CI); Dimethyl 2-nitro-1,4-benzenedicarboxylate; Dimethyl2-nitroterephthalate; Dimethyl nitroterephthalate; Dimethylo-nitroterephthalate; NSC 5056
EINECS: 226-134-1
Density: 1.35g/cm3
Melting Point: 73-76 ºC
Boiling Point: 353.2°Cat760mmHg
Flash Point: 160.2°C
Solubility: INSOLUBLE
Appearance: Light yellow crystalline powder.
Hazard Symbols:
Risk Codes: R36/37/38   
Safety: S26;S37/39
PSA: 98.42000
LogP: 1.69120
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  • Dimethyl 2-nitroterephthalate

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    Dimethyl 2-nitroterephthalate

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  • Dimethyl nitroterephthalate

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    5292-45-5

    Dimethyl nitroterephthalate

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Chemistry

Molecular Structure of Dimethyl nitroterephthalate (CAS No.5292-45-5):

Molecular Formula: C10H9NO6 
Molecular Weight: 239.1816
CAS No: 5292-45-5
H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 98.42 Å2
Index of Refraction: 1.549
Molar Refractivity: 56.34 cm3
Molar Volume: 177 cm3
Surface Tension: 50.6 dyne/cm
Density: 1.35 g/cm3
Flash Point: 160.2 °C
Enthalpy of Vaporization: 59.81 kJ/mol
Boiling Point: 353.2 °C at 760 mmHg
Vapour Pressure: 3.64E-05 mmHg at 25°C
IUPAC Name: Dimethyl 2-nitrobenzene-1,4-dicarboxylate
Product Categories: Derivatives of phthalic acid
InChI: InChI=1/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3
InChIKey: PAYWCKGMOYQZAW-UHFFFAOYAH
Std. InChI: InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3
Std. InChIKey: PAYWCKGMOYQZAW-UHFFFAOYSA-N

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 2

Specification

   Dimethyl nitroterephthalate (CAS No.5292-45-5), its synonyms are 1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester ; Dimethyl 2-nitroterephthalate ; 1, 4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester ; 2-Nitrobenzene-1,4-dicarboxylic acid dimethyl ester ; Dimethyl 2-nitro-1,4-benzenedicarboxylate .