Benzoic acid,2,6-dinitro- supplier

Name
2,6-DINITROBENZOIC ACID
EINECS
CAS No. 603-12-3
Article Data26
CAS DataBase
Density 1.688 g/cm³
Solubility 16.10g/L(temperature not stated)
Melting Point 202-206 °C
Formula C₇H₄N₂O₆
Boiling Point 395.5 °C at 760 mmHg
Molecular Weight 212.119
Flash Point 179.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dinitrobenzoicacid;STK366688;
PSA 128.94000
LogP 2.24760

Benzoic acid,2,6-dinitro- Specification

The Benzoic acid,2,6-dinitro-, with the CAS registry number 603-12-3, is also known as STK366688. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C₇H₄N₂O₆ and molecular weight is 212.12. What's more, its IUPAC name is 2,6-Dinitrobenzoic acid. It is stable at room temperature and pressure, and It should be sealed and stored in a cool and dry place.

Physical properties of Benzoic acid,2,6-dinitro- are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.96; (4)ACD/LogD (pH 7.4): -1.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 117.94 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 46.27 cm³; (15)Molar Volume: 125.6 cm³; (16)Polarizability: 18.34×10^-24 cm³; (17)Surface Tension: 83.9 dyne/cm; (18)Density: 1.688 g/cm³; (19)Flash Point: 179.2 °C; (20)Enthalpy of Vaporization: 68.09 kJ/mol; (21)Boiling Point: 395.5 °C at 760 mmHg; (22)Vapour Pressure: 5.78E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]
(2)InChI: InChI=1S/C7H4N2O6/c10-7(11)6-4(8(12)13)2-1-3-5(6)9(14)15/h1-3H,(H,10,11)
(3)InChIKey: HKKWSIQQYJTJLW-UHFFFAOYSA-N

Product Name

2,6-DINITROBENZOIC ACID

Benzoic acid,2,6-dinitro- Specification

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