4-(dimethylamino)-3-nitrobenzonitrile
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4-(dimethylamino)-3-nitrobenzonitrile
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CAS No:
19005-63-1
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Formula:
C9H9N3O2
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Chemical Name:
4-(dimethylamino)-3-nitrobenzonitrile
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Synonyms:
4-cyano-N,N-dimethyl-2-nitroaniline; 4-Dimethylamino-3-nitro-benzonitril; 4-dimethylamino-3-nitro-benzonitrile; N-<4-Cyano-2-nitro-phenyl>-dimethylamin;
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CAS No:
4-(dimethylamino)-3-nitrobenzonitrile Basic Attributes
191.18700
191.069476538
DTXSID10402076
2926909090
Characteristics
72.85000
2.05568
1.26g/cm3
111-115ºC
373.6ºC at 760 mmHg
179.8ºC
1.581
8.84E-06mmHg at 25°C
Safety Information
R43
S36/37
Xi
|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:191.19
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:191.069476538
Monoisotopic Mass:191.069476538
Topological Polar Surface Area:72.8
Heavy Atom Count:14
Complexity:263
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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