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188263

Sigma-Aldrich

3-Methyl-2-nitrobenzyl alcohol

98%

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About This Item

Linear Formula:
CH3C6H3(NO2)CH2OH
CAS Number:
80866-76-8
Molecular Weight:
167.16
EC Number:
279-579-9
MDL number:
MFCD00007182
UNSPSC Code:
12352100
PubChem Substance ID:
24851312
NACRES:
NA.22

Quality Level

100

Assay

98%

form

powder

mp

48-50 °C (lit.)

functional group

hydroxyl
nitro

SMILES string

Cc1cccc(CO)c1[N+]([O-])=O

InChI

1S/C8H9NO3/c1-6-3-2-4-7(5-10)8(6)9(11)12/h2-4,10H,5H2,1H3

InChI key

NELPTBUSFQMYOB-UHFFFAOYSA-N

Related Categories

General description

3-Methyl-2-nitrobenzyl alcohol undergoes condensation with N,N-dimethylformamide dimethyl acetal followed by catalytic hydrogenation to yield 7-hydroxymethyl-indole.

Application

3-Methyl-2-nitrobenzyl alcohol was used as starting reagent in the synthesis of 7-formyl-indole.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
59196DJ
09402AH
27311HB
12125HX
02806PA

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Simple Synthesis of 7-Formyl-indole.
Uchil VR, et al.
Synthetic Communications, 36(8), 1051-1056 (2006)

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