5-AMINO-2-METHYLBENZONITRILE
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5-AMINO-2-METHYLBENZONITRILE
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CAS No:
50670-64-9
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Formula:
C8H8N2
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Chemical Name:
5-AMINO-2-METHYLBENZONITRILE
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Synonyms:
5-AMINO-2-METHYLBENZENECARBONITRILE;5-AMINO-2-METHYLBENZONITRILE;2-METHYL-5-AMINOBENZONITRILE;TIMTEC-BB SBB002351;5-Amino-2-methylbenzonitrile ,98%;3-Cyano-4-methylaniline, 4-Amino-2-cyanotoluene;4-AMino-2-cyanotoluene;5-Amino-2-methylbenzonitrile 97%
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CAS No:
Characteristics
49.8
0.5
Yellow to brown Powder
1.1±0.1 g/cm3
88-91 °C(lit.)
110°C/22mmHg(lit.)
135.4±22.3 °C
1.576
Safety Information
6.1
UN 3439 6.1/PG III
3
36/37/38
26-36
Xi,T
Toxic
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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-AMINO-2-METHYLBENZONITRILE Use and Manufacturing
Step 2: 5-Amino-2-methylbenzonitrile: A mixture of 2-methyl-5-nitrobenzonitrile (25.0 g, 154 mmol), 10percent palladium on charcoal (2.5 g) ethyl acetate (150 mL) and ethanol (150 mL) is stirred under an atmosphere of hydrogen. The catalyst is removed by filtration through a pad of celite and the filtrate is concentrated to give 5-amino-2-methylbenzonitrile (also see, Scholz, D. et al. J. Med Chem., 41, 1050-1059 (1998)) (19.6 g, 96percent) as a tan solid. MS: m/e = 133 (M + H).
Computed Properties
Molecular Weight:132.16
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:132.068748264
Monoisotopic Mass:132.068748264
Topological Polar Surface Area:49.8
Heavy Atom Count:10
Complexity:156
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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