2-AMINO-3-BROMO-5-METHYLBENZOIC ACID

The Benzoic acid,2-amino-3-bromo-5-methyl-, with CAS registry number 13091-43-5, belongs to the following product categories: (1)Amino Acids; (2)Aromatic Amino Acids; (3)Peptide Synthesis; (4)Unnatural Amino Acid Derivatives. It has the systematic name of 2-amino-3-bromo-5-methylbenzoic acid. And the chemical formula of this chemical is C₈H₈BrNO₂.

Physical properties of Benzoic acid,2-amino-3-bromo-5-methyl-: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 5.93; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 54.7; (8)ACD/KOC (pH 7.4): 1.42; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 49.93 cm³; (15)Molar Volume: 136.7 cm³; (16)Polarizability: 19.79×10^-24cm³; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.682 g/cm³; (19)Flash Point: 165.6 °C; (20)Enthalpy of Vaporization: 62.76 kJ/mol; (21)Boiling Point: 350.2 °C at 760 mmHg; (22)Vapour Pressure: 1.67E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-amino-5-methyl-benzoic acid. This reaction will need reagent Br₂ and solvent acetic acid

Uses of Benzoic acid,2-amino-3-bromo-5-methyl-: it can be used to produce 6-bromo-4-methylbenzenediazonium 2-carboxylate hydrochloride. This reaction will need reagent isoamyl nitrite, aq. HCl and solvent methanol. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,2-amino-3-bromo-5-methyl- is harmful if swallowed. And it may cause sensitization by skin contact. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(C(=O)O)c1N)C
(2)InChI: InChI=1/C8H8BrNO2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,10H2,1H3,(H,11,12)
(3)InChIKey: LCMZECCEEOQWLQ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H8BrNO2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,10H2,1H3,(H,11,12)
(5)Std. InChIKey: LCMZECCEEOQWLQ-UHFFFAOYSA-N