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621-50-1

621-50-1 Structure

621-50-1 Structure
IdentificationMore
[Name]

3-NITROPHENYLACETONITRILE
[CAS]

621-50-1
[Synonyms]

3-NITROPHENYLACETONITRILE
(m-nitrophenyl)-acetonitril
(m-nitrophenyl)acetonitrile
3-nitro-benzeneacetonitril
3-nitrobenzeneacetonitrile
3-nitrobenzylcyanide
Acetonitrile, (m-nitrophenyl)-
m-nitrobenzylcyanide
m-Nitro-phenylacetonitrile
3-Nitrophenylaceonitrile
[EINECS(EC#)]

210-689-1
[Molecular Formula]

C8H6N2O2
[MDL Number]

MFCD00041249
[Molecular Weight]

162.15
[MOL File]

621-50-1.mol
Chemical PropertiesBack Directory
[Appearance]

Pale Yellow Solid
[Melting point ]

60-62 °C(lit.)
[Boiling point ]

180 °C3 mm Hg(lit.)
[density ]

1.3264 (rough estimate)
[refractive index ]

1.5770 (estimate)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform, Ethyl Acetate
[form ]

Solid
[color ]

Pale Yellow to Light Brown
[InChI]

1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2
[InChIKey]

WAVKEPUFQMUGBP-UHFFFAOYSA-N
[SMILES]

[O-][N+](=O)c1cccc(CC#N)c1
[CAS DataBase Reference]

621-50-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

AM1247000
[HazardClass ]

IRRITANT-HARMFUL
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

3-Nitrophenylacetonitrile (cas# 621-50-1) is a compound useful in organic synthesis.
[General Description]

3-Nitrophenylacetonitrile is a builing block. Reactions of 3-nitrophenylacetonitrile with isopropyl alcohol, cyclohexyl alcohol and benzyl alcohol at high temperature have been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

3-NITROPHENYLACETONITRILE(621-50-1)1HNMR
3-NITROPHENYLACETONITRILE(621-50-1)FT-IR
3-NITROPHENYLACETONITRILE(621-50-1)Raman
3-NITROPHENYLACETONITRILE(621-50-1)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

621-50-1(sigmaaldrich)
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