ChemicalBook--->CAS DataBase List--->6125-24-2

6125-24-2

6125-24-2 Structure

6125-24-2 Structure
IdentificationBack Directory
[Name]

1-(PHENYL) 2-NITROETHANE
[CAS]

6125-24-2
[Synonyms]

Nsc23854
PHENYLNITROETHANE
nitrophenyl ethane
3-Nitroethylbenzene
1-Nitro-2-phenylethane
2-Phenyl-1-nitro-ethane
1-(2-Nitroethyl)benzene
1-(PHENYL) 2-NITROETHANE
Benzene, (2-nitroethyl)-
Benzene,(2-nitroethyl)-,cas:6125-24-2
nitro-phenylethane,1-nitro-2-phenylethane
[EINECS(EC#)]

228-094-0
[Molecular Formula]

C8H9NO2
[MDL Number]

MFCD00210449
[MOL File]

6125-24-2.mol
[Molecular Weight]

151.16
Chemical PropertiesBack Directory
[Melting point ]

56-58℃
[Boiling point ]

250℃
[density ]

1.122 g/cm3 (25℃)
[refractive index ]

1.5270 (589.3 nm 20℃)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Oil
[pka]

8.13±0.10(Predicted)
[color ]

Colourless
[Odor]

flower spice
[InChI]

InChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
[InChIKey]

XAWCLWKTUKMCMO-UHFFFAOYSA-N
[SMILES]

C1(CC[N+]([O-])=O)=CC=CC=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319-H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard InformationBack Directory
[Uses]

1-(Phenyl) 2-nitroethane has been mentioned in connection with perfume raw materials, and since it could be made readily available, it has been considered for perfumery purposes.
[Synthesis]

1-(Phenyl) 2-nitroethane is prepared:
1) from beta-Phenylethylamine by oxidation. The amine is obtained from Benzyl cyanide in liquid Ammonia with a Raney-Nickel catalyst, by hydrogenation.
2) by isolation from the essential oil of the leaves of Aniba canellila (in Brazil).
Spectrum DetailBack Directory
[Spectrum Detail]

1-(PHENYL) 2-NITROETHANE(6125-24-2)1HNMR
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