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2-Bromo-3-nitrobenzoic acid

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Name

2-Bromo-3-nitrobenzoic acid

EINECS 209-356-3
CAS No. 573-54-6 Density 1.892 g/cm3
PSA 83.12000 LogP 2.57870
Solubility N/A Melting Point 184-186 °C(lit.)
Formula C7H4BrNO4 Boiling Point 337.7 °C at 760 mmHg
Molecular Weight 246.017 Flash Point 158.1 °C
Transport Information N/A Appearance Off-white to yellow crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 573-54-6 (2-Bromo-3-nitrobenzoic acid) Hazard Symbols IrritantXi
Synonyms

2-Bromo-3-nitrobenzoicacid;NSC 9006;

Article Data 11

2-Bromo-3-nitrobenzoic acid Specification

The Benzoicacid, 2-bromo-3-nitro-, with the CAS registry number 573-54-6, is also known as NSC9006. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids; Phenyls & Phenyl-Het; C7; Carbonyl Compounds. Its EINECS registry number is 209-356-3. This chemical's molecular formula is C7H4BrNO4 and molecular weight is 246.01. Its IUPAC name is called 2-bromo-3-nitrobenzoic acid.

Physical properties of Benzoicacid, 2-bromo-3-nitro-: (1)ACD/LogP: 1.88; (2)ACD/LogD (pH 5.5): -1.15; (3)ACD/LogD (pH 7.4): -1.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.65; (12)Molar Refractivity: 47.41 cm3; (13)Molar Volume: 129.9 cm3; (14)Surface Tension: 69.5 dyne/cm; (15)Density: 1.892 g/cm3; (16)Flash Point: 158.1 °C; (17)Enthalpy of Vaporization: 61.32 kJ/mol; (18)Boiling Point: 337.7 °C at 760 mmHg; (19)Vapour Pressure: 4.02E-05 mmHg at 25°C.

Uses of Benzoicacid, 2-bromo-3-nitro-: it can be used to produce 3-nitro-2-(2-nitro-anilino)-benzoic acid with 2-nitro-aniline at temperature of 192 °C. This reaction will need reagents Na2CO3, K2CO3 and Cu with reaction time of 3 hours. The yield is about 32%.

Benzoicacid, 2-bromo-3-nitro- can be used to produce 3-nitro-2-(2-nitro-anilino)-benzoic acid with 2-nitro-aniline

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O
(2)InChI: InChI=1S/C7H4BrNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
(3)InChIKey: WTDJEGSXLFHZPY-UHFFFAOYSA-N

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