ChemicalBook--->CAS DataBase List--->80866-88-2

80866-88-2

80866-88-2 Structure

80866-88-2 Structure
IdentificationBack Directory
[Name]

3-METHOXY-4-NITROBENZYL ALCOHOL
[CAS]

80866-88-2
[Synonyms]

Einecs 279-593-5
3-METHOXY-4-NITROBENZYL ALCOHOL
3-Methoxy-4-nitrobenzenemethanol
(3-Methoxy-4-nitrophenyl)Methanol
Benzenemethanol, 3-methoxy-4-nitro-
3-Methoxy-4-nitrobenzyl alcohol 99%
[EINECS(EC#)]

279-593-5
[Molecular Formula]

C8H9NO4
[MDL Number]

MFCD00007098
[MOL File]

80866-88-2.mol
[Molecular Weight]

183.16
Chemical PropertiesBack Directory
[Melting point ]

95-97 °C (lit.)
[Boiling point ]

367.3±27.0 °C(Predicted)
[density ]

1.316±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

woolen crystalline needles
[pka]

13.43±0.10(Predicted)
[color ]

Tan
[InChI]

1S/C8H9NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,10H,5H2,1H3
[InChIKey]

AADYWCBPJZAJNU-UHFFFAOYSA-N
[SMILES]

COc1cc(CO)ccc1[N+]([O-])=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[HS Code ]

2906290090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

white crystalline
[Uses]

3-Methoxy-4-nitrobenzyl alcohol was used in the synthesis of:
  • 3-methoxy-4-nitrobenzyl azide
  • new aryl azides, (Z)-1-(3′-azido-4′-methoxyphenyl)-2-(3″,4″,5″-trimethoxyphenyl)ethane and (Z)-1-(4′-azido-3′-methoxyphenyl)-2-(3″,4″,5″-trimethoxyphenyl)ethane, potentially useful photoaffinity labeling reagents for tubulin
  • 3-methoxy-4-nitrobenzaldehyde via oxidation
  • 4-[3-(2-methylphenyl)ureido]-3-methoxybenzylchloride, required for syntheses of trifluoromethyl-substituted hydantoins
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHOXY-4-NITROBENZYL ALCOHOL(80866-88-2)MS
3-METHOXY-4-NITROBENZYL ALCOHOL(80866-88-2)1HNMR
3-METHOXY-4-NITROBENZYL ALCOHOL(80866-88-2)13CNMR
3-METHOXY-4-NITROBENZYL ALCOHOL(80866-88-2)IR1
3-METHOXY-4-NITROBENZYL ALCOHOL(80866-88-2)IR2
3-METHOXY-4-NITROBENZYL ALCOHOL(80866-88-2)Raman
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