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81029-03-0

81029-03-0 Structure

81029-03-0 Structure
IdentificationMore
[Name]

2,3-DIMETHYL-4-NITROANISOLE
[CAS]

81029-03-0
[Synonyms]

2,3-DIMETHYL-4-NITROANISOLE
2,3-DIMETHYL-P-NITROANISOLE
3-METHOXY-6-NITRO-O-XYLENE
1-Methoxy-2,3-dimethyl-4-nitrobenzene
4-Methoxy-2,3-dimethylnitrobenzene
[EINECS(EC#)]

279-674-5
[Molecular Formula]

C9H11NO3
[MDL Number]

MFCD00007163
[Molecular Weight]

181.19
[MOL File]

81029-03-0.mol
Chemical PropertiesBack Directory
[Appearance]

light beige-green powder and chunks
[Melting point ]

70-73 °C(lit.)
[Boiling point ]

314.29°C (rough estimate)
[density ]

1.2375 (rough estimate)
[refractive index ]

1.5270 (estimate)
[storage temp. ]

Store at room temperature
[InChI]

1S/C9H11NO3/c1-6-7(2)9(13-3)5-4-8(6)10(11)12/h4-5H,1-3H3
[InChIKey]

DUBFMQLUMHKYOX-UHFFFAOYSA-N
[SMILES]

COc1ccc(c(C)c1C)[N+]([O-])=O
[CAS DataBase Reference]

81029-03-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29093090
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

light beige-green powder and chunks
[Uses]

2,3-Dimethyl-4-nitroanisole was used:
  • as starting material in the synthesis of conformationally restricted derivatives of lavendustin A
  • in the synthesis of 1,4-piperazine-2,5-diones
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-DIMETHYL-4-NITROANISOLE(81029-03-0)MS
2,3-DIMETHYL-4-NITROANISOLE(81029-03-0)1HNMR
2,3-DIMETHYL-4-NITROANISOLE(81029-03-0)IR1
2,3-DIMETHYL-4-NITROANISOLE(81029-03-0)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

81029-03-0(sigmaaldrich)
[TCI AMERICA]

2,3-Dimethyl-4-nitroanisole,>98.0%(GC)(81029-03-0)
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