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 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 Range	Yellow (11.4) to Orange-red (12.9)
Water Solubility	INSOLUBLE
Merck	14,6590
BRN	388442
Exposure limits	NIOSH: IDLH 25 mg/m3
Major Application	Recording materials, photography, forge-proof security paper
InChIKey	PXNJGLAVKOXITN-UHFFFAOYSA-N
CAS DataBase Reference	555-21-5(CAS DataBase Reference)
NIST Chemistry Reference	Benzeneacetonitrile, 4-nitro-(555-21-5)
EPA Substance Registry System	Benzeneacetonitrile, 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
Toxicity	LD50 ivn-mus: 32 mg/kg CSLNX* NX#02093

MSDS Information

Provider	Language
4-Nitrophenylacetonitrile	English
ACROS	English
SigmaAldrich	English
ALFA	English

p-Nitrophenylacetonitrile Usage And Synthesis

Chemical Properties	Cream to yellow crystalline powder
Uses	p-Nitrophenylacetonitrile is used as a radical inhibitor in the polymerization of vinyl acetate.
Uses	In the preparation of p-nitrophenylacetic acid.
Uses	4-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
Hazard	Toxic material
Safety Profile	Poison 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 Methods	Crystallise the nitrile from EtOH. TOXIC. [Beilstein 9 H 456, 9 I 183, 9 II 313, 9 III 2291.]

p-Nitrophenylacetonitrile Preparation Products And Raw materials

Raw materials	Benzeneacetonitrile
Preparation Products	1-(2,4-DIHYDROXY-PHENYL)-2-(4-NITRO-PHENYL)-ETHANONE-->2-(4-AMINOPHENYL)ETHYL AMINE 2HCL-->1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE-->4-Nitrophenylacetic acid-->Ethyl 4-nitrophenylacetate

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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