CAS No.13365-26-9,DIMETHYL 3-NITROPHTHALATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13365-26-9
Name:	DIMETHYL 3-NITROPHTHALATE
Article Data:	30

Formula:	C₁₀H₉NO₆
Molecular Weight:	239.185
Synonyms:	1,2-Benzenedicarboxylicacid, 3-nitro-, dimethyl ester (9CI);Phthalic acid, 3-nitro-, dimethyl ester (8CI);Methyl 2-(methoxycarbonyl)-3-nitrobenzoate;NSC68806;3-Nitrophthalic acid dimethyl ester;Dimethyl 3-nitrobenzene-1,2-dicarboxylate;
Density:	1.35 g/cm³
Melting Point:	68-69 °C
Boiling Point:	314.6 °C at 760 mmHg
Flash Point:	134.3 °C
Solubility:	Insoluble in water
Safety:	22-24/25
PSA:	98.42000
LogP:	1.69120

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Specification

The 1,2-Benzenedicarboxylicacid, 3-nitro-, 1,2-dimethyl ester with CAS registry number of 13365-26-9 is also known as Dimethyl 3-nitrophthalate. The IUPAC name is Dimethyl 3-nitrobenzene-1,2-dicarboxylate. It belongs to product categories of Aromatic Esters. In addition, the formula is C₁₀H₉NO₆ and the molecular weight is 239.18. What's more, this chemical should be sealed in cool and dry place away from oxidants. During using it, do not breathe dust and avoid contact with skin or eyes.

Physical properties about 1,2-Benzenedicarboxylicacid, 3-nitro-, 1,2-dimethyl ester are: (1)ACD/LogP: 0.99; (2)#H bond acceptors: 7; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 98.42Å²; (5)Index of Refraction: 1.549; (6)Molar Refractivity: 56.34 cm³; (7)Molar Volume: 177 cm³; (8)Polarizability: 22.33×10^-24cm³; (9)Surface Tension: 50.6 dyne/cm; (10)Density: 1.35 g/cm³; (11)Flash Point: 134.3 °C; (12)Enthalpy of Vaporization: 55.57 kJ/mol; (13)Boiling Point: 314.6 °C at 760 mmHg; (14)Vapour Pressure: 0.000462 mmHg at 25 °C.

Preparation of 1,2-Benzenedicarboxylicacid, 3-nitro-, 1,2-dimethyl ester: it is prepared by reaction of butynedioic acid dimethyl ester with 1-(N,N-dimethylamino)-4-nitro-1,3-butadiene. The reaction needs solvent xylene with other conditon of heating for 2 hours. The yield is about 61.9%.

1,2-Benzenedicarboxylicacid, 3-nitro-, 1,2-dimethyl ester is prepared by reaction of butynedioic acid dimethyl ester with 1-(N,N-dimethylamino)-4-nitro-1,3-butadiene.

Uses of 1,2-Benzenedicarboxylicacid, 3-nitro-, 1,2-dimethyl ester: it is used to produce 3-amino-phthalic acid dimethyl ester. The reaction occurs with reagent cyclohexene, solvent ethanol and catalyst Pd/C with other condition of heating for 3 hours. The yield is about 100%.

1,2-Benzenedicarboxylicacid, 3-nitro-, 1,2-dimethyl ester is used to produce 3-amino-phthalic acid dimethyl ester.

You can still convert the following datas into molecular structure:
1. SMILES: O=[N+]([O-])c1cccc(c1C(=O)OC)C(=O)OC
2. InChI: InChI=1/C10H9NO6/c1-16-9(12)6-4-3-5-7(11(14)15)8(6)10(13)17-2/h3-5H,1-2H3
3. InChIKey: MLQMIKSBTAZNBK-UHFFFAOYAJ
4. Std. InChI: InChI=1S/C10H9NO6/c1-16-9(12)6-4-3-5-7(11(14)15)8(6)10(13)17-2/h3-5H,1-2H3
5. Std. InChIKey: MLQMIKSBTAZNBK-UHFFFAOYSA-N