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555-21-5

555-21-5 Structure

555-21-5 Structure
IdentificationMore
[Name]

p-Nitrophenylacetonitrile
[CAS]

555-21-5
[Synonyms]

2-(4-NITROPHENYL)ACETONITRILE
4-NITROBENZYL CYANIDE
4-NITROPHENYLACETONITRILE
LABOTEST-BB LT00060135
P-NITROBENZYL CYANIDE
P-NITROPHENYLACETONITRILE
(p-Nitrobenzene)acetonitrile
(p-nitrophenyl)-acetonitril
4-nitro-benzeneacetonitril
4-Nitrobenzeneacetonitrile
4-nitro-benzyl-cyanid
4-Nitrophenylacetic acid nitrile
Acetonitrile, (p-nitrophenyl)-
p-Nitophenylacetonitrile
p-Nitro-alpha-tolunitrile
p-nitrobenzeneacetonitrile
p-Nitro-tolunitrile
Benzeneacetonitrile, 4-nitro-
4-Nitrophenylacetonitrile,98%
4-NITRO ACETONITRILE
[EINECS(EC#)]

209-085-0
[Molecular Formula]

C8H6N2O2
[MDL Number]

MFCD00007372
[Molecular Weight]

162.15
[MOL File]

555-21-5.mol
Chemical PropertiesBack Directory
[Appearance]

Cream to yellow crystalline powder
[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
[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]

555-21-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S14:Keep away from ... (incompatible materials to be indicated by the manufacturer) .
S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[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
Raw materials And Preparation ProductsBack Directory
[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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Nitrophenylacetonitrile(555-21-5).msds
Hazard InformationBack Directory
[Hazard]

Toxic material
[Chemical Properties]

Cream to yellow crystalline powder
[Uses]

4-Nitrophenylacetonitrile is used as a radical inhibitor in the polymerization of vinyl acetate. Toxic compound to tetrahymena pyriformis.
[Uses]

In the preparation of p-nitrophenylacetic acid.
[Uses]

p-Nitrophenylacetonitrile is used as a radical inhibitor in the polymerization of vinyl acetate.
[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
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

p-Nitrophenylacetonitrile(555-21-5)MS
p-Nitrophenylacetonitrile(555-21-5)1HNMR
p-Nitrophenylacetonitrile(555-21-5)13CNMR
p-Nitrophenylacetonitrile(555-21-5)IR1
p-Nitrophenylacetonitrile(555-21-5)IR2
p-Nitrophenylacetonitrile(555-21-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Nitrophenylacetonitrile, 98%(555-21-5)
[Alfa Aesar]

4-Nitrophenylacetonitrile, 98%(555-21-5)
[Sigma Aldrich]

555-21-5(sigmaaldrich)
[TCI AMERICA]

4-Nitrobenzyl Cyanide,>98.0%(GC)(555-21-5)
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