4-Nitrophenylacetonitrile
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4-Nitrophenylacetonitrile
structure -
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CAS No:
555-21-5
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Formula:
C8H6N2O2
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Chemical Name:
4-Nitrophenylacetonitrile
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Synonyms:
Benzeneacetonitrile,4-nitro-;Acetonitrile,(p-nitrophenyl)-;4-Nitrobenzeneacetonitrile;p-Nitrobenzyl cyanide;p-Nitro-α-tolunitrile;(p-Nitrophenyl)acetonitrile;p-Nitrobenzeneacetonitrile;4-Nitrobenzyl cyanide;4-Nitrophenylacetonitrile;NSC 5396;4-Nitrobenzyl nitrile;1-(4-Nitrophenyl)acetonitrile;2-(4-Nitrophenyl)acetonitrile
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CAS No:
4-Nitrophenylacetonitrile Basic Attributes
162.15
162.15
388442
209-085-0
086Q9Q6WOT
5396
DTXSID3060297
29269095
Characteristics
69.6
1.18
Cream to yellow Crystalline Powder
1.3±0.1 g/cm3
117 °C
195-197 °C (12.0016 mmHg)
157.2±20.9 °C
1.577
Solubility Insoluble in water, soluble in ethanol, ether
Store below +30°C.
Celiac-Mouse LD50: 47 mg/kg
Open flame is flammable; heat releases highly toxic nitrile-containing gas
Safety Information
III
6.1
3439
3
20/21/22-36/37/38
14-22-36/37-36-26-24/25
AM1250000
Xn
The warehouse is ventilated, low temperature and dry; stored and transported separately from food, oxidants and acids
Stable under normal temperatures and pressures.
P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301
|Danger|H301 (28.57%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, 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 9 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Nitrophenylacetonitrile Use and Manufacturing
Derived from nitrile acetonitrile. Mix nitric acid and sulfuric acid according to 1:1.5, cool to 0°C, start dropping benzyl cyanide, and control the temperature not to exceed 10°C. After the addition is completed, the reaction is carried out below 10°C for 1h. The reaction solution was slowly poured into 7 times the weight of crushed ice with stirring, filtered, and the cake was washed with water to pH=3-4. The obtained wet crude product was recrystallized with ethanol to obtain p-nitrophenylacetonitrile.
In the preparation of p-nitrophenylacetic acid.
Benzeneacetonitrile, 4-nitro-: INACTIVE
Computed Properties
Molecular Weight:162.15
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:162.042927438
Monoisotopic Mass:162.042927438
Topological Polar Surface Area:69.6
Heavy Atom Count:12
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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