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3177-80-8

Basic Information
CAS No.: 3177-80-8
Name: 2-AMINO-3-METHOXYBENZOIC ACID
Article Data: 25
Molecular Structure:
Molecular Structure of 3177-80-8 (2-AMINO-3-METHOXYBENZOIC ACID)
Formula: C8H9NO3
Molecular Weight: 167.164
Synonyms: m-Anisicacid, 2-amino- (6CI,7CI,8CI);2-Amino-3-(methyloxy)benzoic acid;3-Methoxy-2-aminobenzoic acid;3-Methoxyanthranilic acid;NSC 81443;
Density: 1.303 g/cm3
Melting Point: 169-170 °C(lit.)
Boiling Point: 333.948 °C at 760 mmHg
Flash Point: 155.766 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 72.55000
LogP: 1.55680
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Specification

The CAS registry number of Benzoic acid, 2-amino-3-methoxy- is 3177-80-8. The IUPAC name is  2-amino-3-methoxybenzoic acid. In addition, the molecular formula is C8H9NO3. What's more, it is a kind of Phenylacetic Acid. Besides, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.53; (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): 12.746; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.55 Å2; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 44.098 cm3; (13)Molar Volume: 128.245 cm3; (14)Polarizability: 17.482×10-24cm3; (15)Surface Tension: 56.694 dyne/cm; (16)Density: 1.303 g/cm3; (17)Flash Point: 155.766 °C; (18)Enthalpy of Vaporization: 60.889 kJ/mol; (19)Boiling Point: 333.948 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Benzoic acid, 2-amino-3-methoxy-: it can be prepared by 3-methoxy-2-nitro-benzoic acid. This reaction will need reagent H2, catalyst 10 percent Pd/C and solvent ethanol. The reaction time is 10 minutes at reaction pressure of 2625.2 Pa with ambient temperature. The yield is about 100%.

Benzoic acid, 2-amino-3-methoxy- can be prepared by 3-methoxy-2-nitro-benzoic acid.

Uses of Benzoic acid, 2-amino-3-methoxy-: it can be used to get 2-bromo-3-methoxy-benzoic acid. This reaction will need reagents HBr, NaNO2, HBr and CuBr, and solvent H2O. This reaction is divided into two steps. In the first step, the reaction time is 10 minutes at temperature of -5 °C with heating. And the reaction time is 4 hours at temperature of 20 °C with heating in the second step. The yield is about 85%.

Benzoic acid, 2-amino-3-methoxy- can be used to get 2-bromo-3-methoxy-benzoic acid

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(c1N)C(=O)O
(2)InChI: InChI=1/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)
(3)InChIKey: SXOPCLUOUFQBJV-UHFFFAOYAG