2-Amino-5-methylbenzoic acid
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2-Amino-5-methylbenzoic acid
structure -
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CAS No:
2941-78-8
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Formula:
C8H9NO2
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Chemical Name:
2-Amino-5-methylbenzoic acid
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Synonyms:
Benzoic acid,2-amino-5-methyl-;m-Toluic acid,6-amino-;2-Amino-5-methylbenzoic acid;5-Methylanthranilic acid;5-Methyl-2-aminobenzoic acid;2-Carboxy-4-methylaniline;NSC 39154;NSC 50786
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CAS No:
2-Amino-5-methylbenzoic acid Basic Attributes
151.16
151.16
1101527
220-932-3
418XAJ22V2
50786|39154
DTXSID40183629
29224999
Characteristics
63.3
1.8
Off-white to beige Powder
1.3±0.1 g/cm3
177 °C
316.6ºC at 760 mmHg
145.3±24.6 °C
1.618
Store in a cool, dry place. Store in a tightly closed container.
0.000171mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36-37/39
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 50 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Amino-5-methylbenzoic acid Use and Manufacturing
To a solution of 5-METHYL-2-NITROBENZOIC acid (20 g, 110 mmol) in ethanol was added 10percent PD/C (1 g). The mixture was stirred overnight at room temperature under hydrogen atmosphere. The solution was filtered through celite and evaporated under reduced pressure to yield 16 g (96percent) of white solids. M. P. 162°C. 1H NMR (DMSO-d6) : d 2. 13 (s, 3H), 6.65 (D, J = 8.6 Hz, 1H), 7.06 (dd, J= 8.6, 1.8 Hz, 1H), 7.48 (D, J = 1.1, 1H). EIMS M/Z 174 (M+1), 152 (M+23).To a solution of 5-methyl-2-nitrobenzoic acid (20 g, 110 mmol) in ethanol was added 10percent Pd/C (1 g).
Computed Properties
Molecular Weight:151.16
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:151.063328530
Monoisotopic Mass:151.063328530
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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