1,2-Benzenedicarboxylicacid, 3,4-dinitro- supplier

Name
3,4-DINITRO-1,2-BENZENEDICARBOXYLIC ACID
EINECS
CAS No. 92971-15-8
Article Data1
CAS DataBase
Density 1.854 g/cm³
Solubility
Melting Point
Formula C₈H₄N₂O₈
Boiling Point 532.669 °C at 760 mmHg
Molecular Weight 256.128
Flash Point 235.454 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phthalicacid, 3,4-dinitro- (7CI);3,4-Dinitrophthalic acid;3,4-dinitrobenzene-1,2-dicarboxylic acid;1,2-benzenedicarboxylic acid, 3,4-dinitro-;3,4-Dinitro-1,2-benzenedicarboxylic acid;3,4-Dinitrophthalic acid;
PSA 166.24000
LogP 1.94580

1,2-Benzenedicarboxylicacid, 3,4-dinitro- Specification

The 1,2-Benzenedicarboxylicacid, 3,4-dinitro-, with the CAS registry number 92971-15-8, has the systematic name of 3,4-dinitrobenzene-1,2-dicarboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₄N₂O₈.

The characteristics of 1,2-Benzenedicarboxylicacid, 3,4-dinitro- are as followings: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 1 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 10; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 166.24 Å²; (11)Index of Refraction: 1.697; (12)Molar Refractivity: 53.204 cm³; (13)Molar Volume: 138.176 cm³; (14)Polarizability: 21.092×10^-24cm³; (15)Surface Tension: 105.174 dyne/cm; (16)Density: 1.854 g/cm³; (17)Flash Point: 235.454 °C; (18)Enthalpy of Vaporization: 85.098 kJ/mol; (19)Boiling Point: 532.669 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=N(=O)c1ccc(c(c1N(=O)=O)C(O)=O)C(O)=O
(2)InChI: InChI=1/C8H4N2O8/c11-7(12)3-1-2-4(9(15)16)6(10(17)18)5(3)8(13)14/h1-2H,(H,11,12)(H,13,14)
(3)InChIKey: NYZQQLVKJQGAPT-UHFFFAOYAK

Product Name

3,4-DINITRO-1,2-BENZENEDICARBOXYLIC ACID

1,2-Benzenedicarboxylicacid, 3,4-dinitro- Specification

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