2-Aminobenzeneacetonitrile
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2-Aminobenzeneacetonitrile
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CAS No:
2973-50-4
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Formula:
C8H8N2
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Chemical Name:
2-Aminobenzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,2-amino-;Acetonitrile,(o-aminophenyl)-;2-Aminobenzeneacetonitrile;o-Aminobenzyl cyanide;2-Aminobenzyl cyanide;(2-Aminophenyl)acetonitrile;2-(Cyanomethyl)aniline
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CAS No:
2-Aminobenzeneacetonitrile Basic Attributes
132.16
132.16
221-015-0
PE7ZN32FVB
DTXSID60183888
2926909090
Characteristics
49.8
0.9
Off-white Powder
1.1±0.1 g/cm3
72 °C @ Solvent: Ethanol
321°C
136.5±20.9 °C
1.593
0.00101mmHg at 25°C
Safety Information
6.1
NONH for all modes of transport
3
23/24/25-36/37/38
26-36/37/39-45
T
P261-P280-P301 + P312 + P330
H302 + H312 + H332
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, 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.
2-Aminobenzeneacetonitrile Use and Manufacturing
A suspension of (2-nitrophenyl)-acetonitrile (30 g, 185 mmol) and 10percent palladium on carbon (2 g) in acetic acid (450 mL) was hydrogenated in a Parr apparatus under 30 psi pressure at ambient temperature for 2 hours.Acid Preparation 12: 3-cyano-1H-indazole-5-carboxylic acid A suspension of (2-nitrophenyl)-acetonitrile (30 g, 185 mmol) and 10percent palladium on carbon (2 g) in acetic acid (450 mL) was hydrogenated in a Parr apparatus under 30 psi pressure at ambient temperature for 2 hours. The mixture was filtered through a Celite
Computed Properties
Molecular Weight:132.16
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:132.068748264
Monoisotopic Mass:132.068748264
Topological Polar Surface Area:49.8
Heavy Atom Count:10
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes