p-Nitrophenylacetonitrile

p-Nitrophenylacetonitrile Basic information
Product Name:p-Nitrophenylacetonitrile
Synonyms:P-NITROBENZYL CYANIDE;P-NITROPHENYLACETONITRILE;(p-Nitrobenzene)acetonitrile;(p-nitrophenyl)-acetonitril;LABOTEST-BB LT00060135;4-NITROPHENYLACETONITRILE;4-NITROBENZYL CYANIDE;2-(4-NITROPHENYL)ACETONITRILE
CAS:555-21-5
MF:C8H6N2O2
MW:162.15
EINECS:209-085-0
Product Categories:Miscellaneous;Nitro;Building Blocks;C8 to C9;Chemical Synthesis;cyanide| nitro-compound;FINE Chemical & INTERMEDIATES;benzene derivative;Cyanides/Nitriles;Nitrogen Compounds;Organic Building Blocks
Mol File:555-21-5.mol
p-Nitrophenylacetonitrile Structure
p-Nitrophenylacetonitrile Chemical Properties
Melting point 113-115 °C(lit.)
Boiling point 195-197 °C (12.0016 mmHg)
density 1.3264 (rough estimate)
refractive index 1.5770 (estimate)
storage temp. Store below +30°C.
solubility Solubility Insoluble in water, soluble in ethanol, ether
form Crystalline Powder
color Cream to yellow
PH RangeYellow (11.4) to Orange-red (12.9)
Water Solubility INSOLUBLE
Merck 14,6590
BRN 388442
Exposure limitsNIOSH: IDLH 25 mg/m3
Major ApplicationRecording materials, photography, forge-proof security paper
InChIKeyPXNJGLAVKOXITN-UHFFFAOYSA-N
CAS DataBase Reference555-21-5(CAS DataBase Reference)
NIST Chemistry ReferenceBenzeneacetonitrile, 4-nitro-(555-21-5)
EPA Substance Registry SystemBenzeneacetonitrile, 4-nitro- (555-21-5)
Safety Information
Hazard Codes Xn
Risk Statements 20/21/22-36/37/38
Safety Statements 14-22-36/37-36-26-24/25
RIDADR 3439
WGK Germany 3
RTECS AM1250000
TSCA Yes
HazardClass 6.1
PackingGroup III
HS Code 29269095
ToxicityLD50 ivn-mus: 32 mg/kg CSLNX* NX#02093
MSDS Information
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4-Nitrophenylacetonitrile English
ACROS English
SigmaAldrich English
ALFA English
p-Nitrophenylacetonitrile Usage And Synthesis
Chemical PropertiesCream to yellow crystalline powder
Usesp-Nitrophenylacetonitrile is used as a radical inhibitor in the polymerization of vinyl acetate.
UsesIn the preparation of p-nitrophenylacetic acid.
Uses4-Nitrophenylacetonitrile is used as a radical inhibitor in the polymerization of vinyl acetate. Toxic compound to tetrahymena pyriformis.
Synthesis Reference(s)Tetrahedron Letters, 20, p. 1361, 1979 DOI: 10.1016/S0040-4039(01)86150-5
The Journal of Organic Chemistry, 52, p. 648, 1987 DOI: 10.1021/jo00380a028
HazardToxic material
Safety ProfilePoison by intravenous route. When heated to decomposition it emits toxic fumes of NOx and CNí. See also NITRILES and NITRO COMPOUNDS OF AROMATIC HYDROCARBONS
Purification MethodsCrystallise the nitrile from EtOH. TOXIC. [Beilstein 9 H 456, 9 I 183, 9 II 313, 9 III 2291.]
2-methyl-2-(4-nitrophenyl)propanenitrile (2-CHLORO-4-NITROPHENYL)-ACETONITRILE 4-Nitrophenylacetic acid 3-(p-Chlorophenyl)-2-(p-nitrophenyl)acrylonitrile p-Nitrobenzoic acid 3-NITROPHENYLACETONITRILE 4-Nitrobenzeneethanol p-Nitrophenylacetonitrile 2-Nitrophenylacetonitrile,98%,2-Nitrophenylacetonitrile 98%,ORTHO-NITROPHENYLACETONITRILE,2-NITROPHENYLACETONITRILE ρ-Nitrobenzenesulphonic acid 4-Methylbenzyl cyanide Benzeneacetonitrile RARECHEM AL FK 0029 2-(4-NITROPHENYL)-2-(1H-1,2,4-TRIAZOL-3-YLSULFANYL)ACETONITRILE RARECHEM AL FK 0028 CHEMBRDG-BB 5560009 2-Methylbenzyl cyanide 2-BROMO-2-(4-NITROPHENYL)ACETONITRILE

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