4-METHOXY-2-NITROBENZONITRILE
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4-METHOXY-2-NITROBENZONITRILE
structure -
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CAS No:
38469-83-9
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Formula:
C8H6N2O3
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Chemical Name:
4-METHOXY-2-NITROBENZONITRILE
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Synonyms:
4-METHOXY-2-NITROBENZONITRILE;2-nitro-4-Methoxybenzonitrile
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CAS No:
Characteristics
78.8
1.5
White to beige Crystalline Powder
1.3±0.1 g/cm3
137-140 °C(lit.)
364.5°C at 760 mmHg
174.3±23.7 °C
1.563
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-METHOXY-2-NITROBENZONITRILE Use and Manufacturing
3-Nitro-4-bromoan-isole (5.00 g, 21.54 mmol) was dissolved in anhydrous DMF and CuCN (2.89 g, 32.32 mmol) was added.
Computed Properties
Molecular Weight:178.14
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:178.03784206
Monoisotopic Mass:178.03784206
Topological Polar Surface Area:78.8
Heavy Atom Count:13
Complexity:240
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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