2-Bromo-3,5-dinitrobenzoicacid supplier

Name
2-Bromo-3,5-dinitrobenzoic acid
EINECS
CAS No. 116529-60-3
Density 2.051 g/cm³
Solubility
Melting Point 213℃
Formula C₇H₃BrN₂O₆
Boiling Point 382.6 °C at 760 mmHg
Molecular Weight 291.015
Flash Point 185.2 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Bromo-3,5-dinitrobenzoicacid;
PSA 128.94000
LogP 3.01010

2-Bromo-3,5-dinitrobenzoicacid Specification

The Benzoic acid, 2-bromo-3, 5-dinitro-, with the CAS registry number of 116529-60-3, is also known as 2-Bromo-3, 5-dinitrobenzoicacid. It belongs to the product categories of Acids & Esters; Bromine Compounds; Nitro Compounds. This chemical's molecular formula is C₇H₃BrN₂O₆ and molecular weight is 291.01252. What's more, its systematic name is called 2-Bromo-3, 5-dinitrobenzoic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzoic acid, 2-bromo-3, 5-dinitro- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (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: 8; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 117.94 Å²; (11)Index of Refraction: 1.685; (12)Molar Refractivity: 53.96 cm³; (13)Molar Volume: 141.8 cm³; (14)Surface Tension: 85.1 dyne/cm; (15)Density: 2.051 g/cm³; (16)Flash Point: 185.2 °C; (17)Enthalpy of Vaporization: 66.56 kJ/mol; (18)Boiling Point: 382.6 °C at 760 mmHg; (19)Vapour Pressure: 1.55E-06 mmHg at 25 °C.

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

Product Name

2-Bromo-3,5-dinitrobenzoic acid

2-Bromo-3,5-dinitrobenzoicacid Specification

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