2-Amino-6-methylbenzoic acid
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2-Amino-6-methylbenzoic acid
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CAS No:
4389-50-8
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Formula:
C8H9NO2
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Chemical Name:
2-Amino-6-methylbenzoic acid
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Synonyms:
2-Amino-6-methyl;RARECHEMALBO2325;6-AMINO-O-TOLUICACID;6-Methylanthanilicacid;6-METHYLANTHRANILICACID;2-AMINO-6-METHYLBENZOICACID;2-Methyl-6-aminobenzoicacid;6-Methyl-2-aminobenzoicacid;2-AMino-6-Methylbenozicacid;2-anmino-6-methylbenzoicacid
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CAS No:
2-Amino-6-methylbenzoic acid Basic Attributes
151.16
151.063324
2803391
-0
DTXSID90195979
2922499990
Characteristics
63.3
1.6
Pale yellow powder
1.3±0.1 g/cm3
128-130 °C (dec.)(lit.)
315.1ºC at 760 mmHg
144.4±24.6 °C
1.618
soluble in methanol.
Safety Information
NONH for all modes of transport
3
36/37/38
26-36-24/25
Xi
Irritant
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 201 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Amino-6-methylbenzoic acid Use and Manufacturing
Pd/C (150 mg) was added to a solution of 2-methyl-6-nitrobenzoic acid (1.5 g, 8.29 mmol) inCHOH (35 ml). The mixture was stirred at room temperature under H2 atmosphere for 2h.Then the mixture was filtered and concentrated to afford 1.2 g of the title compound as yellow solid. LCMS (ESI): calc’d for C8H9N02 [M+H]: 152, found: 152.
Computed Properties
Molecular Weight:151.16
XLogP3:1.6
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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