4-Bromo-3,5-dinitrobenzoic acid supplier

Name
4-Bromo-3,5-dinitrobenzoic acid
EINECS
CAS No. 577-52-6
Article Data4
CAS DataBase
Density 2.051 g/cm³
Solubility
Melting Point
Formula C₇H₃BrN₂O₆
Boiling Point 356.3 °C at 760 mmHg
Molecular Weight 291.015
Flash Point 169.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-BROMO-3,5-DINITROBENZOIC ACID
PSA 128.94000
LogP 3.01010

4-Bromo-3,5-dinitrobenzoic acid Specification

The IUPAC name of this chemical is 4-Bromo-3,5-dinitrobenzoic acid. It has CAS registry number 577-52-6. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its molecular formula is C₇H₃BrN₂O₆ and molecular weight is 291.01.

Physical properties about the 4-Bromo-2-trifluoromethylphenylisothiocyanate are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.42; (4)ACD/LogD (pH 7.4): -0.89; (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)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 117.94 Å²; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 53.96 cm³; (14)Molar Volume: 141.8 cm³; (15)Surface Tension: 85.1 dyne/cm; (16)Density: 2.051 g/cm³; (17)Flash Point: 169.3 °C; (18)Enthalpy of Vaporization: 63.47 kJ/mol; (19)Boiling Point: 356.3 °C at 760 mmHg; (20)Vapour Pressure: 1.08E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1Br)C(=O)O
(2) InChI: InChI=1/C7H3BrN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)
(3) InChIKey: CEKRKRORVUEWMI-UHFFFAOYAB

Product Name

4-Bromo-3,5-dinitrobenzoic acid

4-Bromo-3,5-dinitrobenzoic acid Specification

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