Benzoic acid,4-amino-2,6-dinitro- supplier

Name
4-AMINO-2,6-DINITROBENZOIC ACID
EINECS
CAS No. 114168-48-8
Article Data3
CAS DataBase
Density 1.775 g/cm³
Solubility
Melting Point
Formula C₇H₅N₃O₆
Boiling Point 503.2 °C at 760 mmHg
Molecular Weight 227.133
Flash Point 258.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-2,6-dinitrobenzoic acid;4-Amino-2,6-dinitro-benzoic acid;
PSA 154.96000
LogP 2.41100

Benzoic acid,4-amino-2,6-dinitro- Specification

The Benzoic acid,4-amino-2,6-dinitro-, with the CAS registry number 114168-48-8, is also known as 4-Amino-2,6-dinitro-benzoic acid. This chemical's molecular formula is C₇H₅N₃O₆ and molecular weight is 227.13. What's more, its systematic name is 4-Amino-2,6-dinitrobenzoic acid.

Physical properties of Benzoic acid,4-amino-2,6-dinitro- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -1.65; (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: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 121.18 Å²; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 50.51 cm³; (15)Molar Volume: 127.9 cm³; (16)Polarizability: 20.02×10^-24cm³; (17)Surface Tension: 101.6 dyne/cm; (18)Density: 1.775 g/cm³; (19)Flash Point: 258.1 °C; (20)Enthalpy of Vaporization: 81.33 kJ/mol; (21)Boiling Point: 503.2 °C at 760 mmHg; (22)Vapour Pressure: 6.04E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])N
(2)InChI: InChI=1S/C7H5N3O6/c8-3-1-4(9(13)14)6(7(11)12)5(2-3)10(15)16/h1-2H,8H2,(H,11,12)
(3)InChIKey: HRBPUPBLMZFYBP-UHFFFAOYSA-N

Product Name

4-AMINO-2,6-DINITROBENZOIC ACID

Benzoic acid,4-amino-2,6-dinitro- Specification

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