5-Bromo-2-nitrobenzoic acid supplier

Name
5-BROMO-2-NITRO-BENZOIC ACID
EINECS
CAS No. 6950-43-2
Article Data9
CAS DataBase
Density 1.892 g/cm³
Solubility
Melting Point 139-141 °C
Formula C₇H₄BrNO₄
Boiling Point 382.1 °C at 760 mmHg
Molecular Weight 246.017
Flash Point 184.9 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Nitro-5-bromobenzoicacid;5-Bromo-2-nitrobenzoic acid;NSC 65749;
PSA 83.12000
LogP 2.57870

5-Bromo-2-nitrobenzoic acid Specification

The CAS register number of 5-Bromo-2-nitrobenzoic acid is 6950-43-2. It also can be called as Benzoic acid, 5-bromo-2-nitro- and the IUPAC name about this chemical is 5-bromo-2-nitrobenzoic acid. The molecular formula about this chemical is C₇H₄BrNO₄and the molecular weight is 246.01. It belongs to the Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.

Physical properties about 5-Bromo-2-nitrobenzoic acid are: (1)ACD/LogP: 2.20; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 72.12 Å²; (10)Index of Refraction: 1.65; (11)Molar Refractivity: 47.41 cm³; (12)Molar Volume: 129.9 cm³; (13)Polarizability: 18.79x10^-24cm³; (14)Surface Tension: 69.5 dyne/cm; (15)Enthalpy of Vaporization: 66.5 kJ/mol; (16)Boiling Point: 382.1 °C at 760 mmHg; (17)Vapour Pressure: 1.61E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cc(Br)cc1)C(=O)O
(2)InChI: InChI=1/C7H4BrNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: FNINYRSNPGPWEL-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H4BrNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
(5)Std. InChIKey: FNINYRSNPGPWEL-UHFFFAOYSA-N

Product Name

5-BROMO-2-NITRO-BENZOIC ACID

5-Bromo-2-nitrobenzoic acid Specification

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