CAS No.52130-17-3,3-Amino-2-methylbenzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52130-17-3
Name:	3-Amino-2-methylbenzoic acid
Article Data:	18

Formula:	C₈H₉NO₂
Molecular Weight:	151.165
Synonyms:	o-Toluicacid, 3-amino- (6CI);2-Methyl-3-aminobenzoic acid;
Density:	1.254 g/cm³
Melting Point:	178-181 °C(lit.)
Boiling Point:	347.3 °C at 760 mmHg
Flash Point:	163.8 °C
Appearance:	white to beige powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	63.32000
LogP:	1.85660

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Specification

This chemical is called Benzoic acid, 3-amino-2-methyl-, and its systematic name is 3-Amino-2-methylbenzoic acid. With the molecular formula of C₈H₉NO₂, its molecular weight is 151.16. The CAS registry number of this chemical is 52130-17-3. Additionally, its product categories are Benzene Derivatives; Amines; Blocks; Carboxes; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic Acids.

Other characteristics of the Benzoic acid, 3-amino-2-methyl- can be summarised as followings: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -1.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.62; (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: 163.8 °C; (20)Enthalpy of Vaporization: 62.43 kJ/mol; (21)Boiling Point: 347.3 °C at 760 mmHg; (22)Vapour Pressure: 2.05E-05 mmHg at 25°C.

Production method of this chemical: The Benzoic acid, 3-amino-2-methyl- could be obtained by the reactant of 2-methyl-3-nitro-benzoic acid. This reaction needs the reagent of H₂, and the catalyst of Pd-C.

Uses of this chemical: The 3-hydroxy-2-methyl-benzoic acid could be obtained by the Benzoic acid, 3-amino-2-methyl-. This reaction needs the reagents of NaNO₂, H₂SO₄.

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 if you use it. 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)c1cccc(N)c1C
2.InChI: InChI=1/C8H9NO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,9H2,1H3,(H,10,11)
3.InChIKey: BYHMLZGICSEKIY-UHFFFAOYAH