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Cas Database |
| Name |
2-Amino-6-methylbenzoic acid |
EINECS | -0 |
| CAS No. | 4389-50-8 | Density | 1.254 g/cm3 |
| PSA | 63.32000 | LogP | 1.85660 |
| Solubility | N/A | Melting Point |
128-130 °C (dec.)(lit.) |
| Formula | C8H9NO2 | Boiling Point | 315.1 °C at 760 mmHg |
| Molecular Weight | 151.165 | Flash Point | 144.4 °C |
| Transport Information | N/A | Appearance | Pale yellow powder |
| Safety | 26-36-24/25 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
o-Toluicacid, 6-amino- (6CI,8CI);6-Amino-o-toluic acid;6-Methyl-2-aminobenzoic acid;6-Methylanthranilic acid;ACR 1308; |
Article Data | 18 |
2-Amino-6-methylbenzoic acid Synthetic route
- 13506-76-8
2-methyl-6-nitrobenzoic acid
- 4389-50-8
2-amino-6-methylbenzoic acid
| Conditions | Yield |
|---|---|
| palladium | 100% |
| With tin(ll) chloride In ethanol at 70℃; for 0.5h; | 99% |
| With hydrazine hydrate; nickel In ethanol at 40℃; | 67% |
| Conditions | Yield |
|---|---|
| With selenium; nitrobenzene; lithium tert-butoxide In methanol; water; dimethyl sulfoxide at 90℃; for 5h; Inert atmosphere; | 59% |
- 40637-78-3
2-methyl-6-nitro-benzoic acid amide
- 4389-50-8
2-amino-6-methylbenzoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin | |
| Multi-step reaction with 2 steps 1: potassium nitrite; sulfuric acid 2: ferrosulfate; ammonia View Scheme | |
| Multi-step reaction with 2 steps 1: NaNO2, H2SO4 2: FeSO4, aq. NH3 View Scheme |
- 7647-01-0
hydrogenchloride
- 40637-78-3
2-methyl-6-nitro-benzoic acid amide
A
- 4389-50-8
2-amino-6-methylbenzoic acid
- 4389-50-8
2-amino-6-methylbenzoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide; dihydrogen peroxide |
- 13506-76-8
2-methyl-6-nitrobenzoic acid
A
- 4389-50-8
2-amino-6-methylbenzoic acid
| Conditions | Yield |
|---|---|
| With ammonia; iron(II) sulfate |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sulfuric acid 2: potassium nitrite; sulfuric acid 3: ferrosulfate; ammonia View Scheme | |
| Multi-step reaction with 2 steps 1: sulfuric acid 2: tin; hydrochloric acid View Scheme | |
| Multi-step reaction with 3 steps 1: aq. H2SO4 2: NaNO2, H2SO4 3: FeSO4, aq. NH3 View Scheme |
- 186581-53-3, 908094-01-9
diazomethane
- 4389-50-8
2-amino-6-methylbenzoic acid
- 18595-13-6
2-amino-6-methylbenzoic acid methyl ester
| Conditions | Yield |
|---|---|
| In diethyl ether for 1h; Inert atmosphere; | 100% |
| In diethyl ether |
2-Amino-6-methylbenzoic acid Specification
This chemical is called Benzoic acid, 2-amino-6-methyl-, and it can also be named as 6-Methylanthranilic acid. With the molecular formula of C8H9NO2, its product categories are Carboxylicacid; Fine Chemical & Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid. The CAS registry number of this chemical is 4389-50-8. In addition, this chemical should be sealed in the cool and dry place.
Other characteristics of the Benzoic acid, 2-amino-6-methyl- can be summarised as followings: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): -1.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.96; (8)ACD/KOC (pH 7.4): 1; (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: 1.618; (14)Molar Refractivity: 42.24 cm3; (15)Molar Volume: 120.5 cm3; (16)Polarizability: 16.74×10-24cm3; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.254 g/cm3; (19)Flash Point: 144.4 °C; (20)Enthalpy of Vaporization: 58.74 kJ/mol; (21)Boiling Point: 315.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000189 mmHg at 25 °C.
Production method of this chemical: The Benzoic acid, 2-amino-6-methyl- could be obtained by the reactant of 2-methyl-6-nitro-benzoic acid. This reaction needs the reagent of FeSO4, aq. NH3.
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Uses of this chemical: The Benzoic acid, 2-amino-6-methyl- could react with cyanogen bromide, and obtain the 2-amino-5-methyl-benzo[d][1,3]oxazin-4-one. This reaction needs the reagent of NaOH, and the solvent of H2O. The yield is 90 %. In addition, this reaction should be taken for 16 hours.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1c(cccc1N)C
2.InChI: InChI=1/C8H9NO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
3.InChIKey: XHYVBIXKORFHFM-UHFFFAOYAU
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