4-Nitrophthalonitrile
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4-Nitrophthalonitrile
structure -
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CAS No:
31643-49-9
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Formula:
C8H3N3O2
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Chemical Name:
4-Nitrophthalonitrile
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Synonyms:
1,2-Benzenedicarbonitrile,4-nitro-;Phthalonitrile,4-nitro-;4-Nitro-1,2-benzenedicarbonitrile;4-Nitrophthalonitrile;3,4-Dicyanonitrobenzene;1,2-Dicyano-4-nitrobenzene;4-Nitro-1,2-dicyanobenzene;4-Nitro-o-benzenedinitrile;NSC 123374;4-Nitro-1,2-phthalonitrile;3,4-Dicyano-1-nitrobenzene
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CAS No:
Characteristics
93.4
1.2
Light yellow, light greenish or light gray to beige Crystalline Powder, Crystals and/or Chunks
1.4±0.1 g/cm3
142 °C
389.9°C at 760 mmHg
189.6±26.5 °C
1.602
Sparingly soluble in water.(0.26 g/L) (25°C),
Safety Information
NONH for all modes of transport
3
22-36/37/38-20/21/22
26-36
TI8576000
Xn
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Nitrophthalonitrile Use and Manufacturing
The thionyl chloride (286mol) was slowly added to 50mL of N, N-dimethylformamide at a temperature lower than 5°C, was stirred in an argon atmosphere. 15g of 4-nitrophthalamide was added and the reaction was maintained for 18h. The crude product was precipitated from a mixture of water–ice [1]. Yield 89percent; Example 3 4-nitrophthalonitrile (II)
Used as pigment, pharmaceutical intermediate
1,2-Benzenedicarbonitrile, 4-nitro-: ACTIVE
Computed Properties
Molecular Weight:173.13
XLogP3:1.2
Hydrogen Bond Acceptor Count:4
Exact Mass:173.022526347
Monoisotopic Mass:173.022526347
Topological Polar Surface Area:93.4
Heavy Atom Count:13
Complexity:302
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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