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187291

Sigma-Aldrich

2-Methyl-3-nitrobenzyl alcohol

99%

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About This Item

Linear Formula:
CH3C6H3(NO2)CH2OH
CAS Number:
23876-13-3
Molecular Weight:
167.16
EC Number:
245-923-1
MDL number:
MFCD00007166
UNSPSC Code:
12352100
PubChem Substance ID:
24851265

Assay

99%

form

solid

mp

69-73 °C (lit.)

functional group

hydroxyl
nitro

SMILES string

Cc1c(CO)cccc1[N+]([O-])=O

InChI

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

InChI key

QJANIQCEDPJNLO-UHFFFAOYSA-N

Application

2-Methyl-3-nitrobenzyl alcohol was used to prepare 2-methyl-3-nitrobenzyl cyanide. It was also used in the synthesis of 20-membered macrocyclic thiodepsipeptide.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
09219AK
14206MS
00925CP
06329DU
06002TS

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Oxidation and Claisen condensation products of 3-nitro-o-xylene.
Askam V and Deeks RHL.
J. Chem. Soc. Sect. C, 14, 1935-1936 (1969)
Marc C Kimber et al.
Chemical communications (Cambridge, England), (5)(5), 591-593 (2008-01-23)
A 20-membered macrocyclic thiodepsipeptide has been synthesized as a model for the southern hemisphere of nosiheptide, the key steps being assembly of an acyclic precursor by amide coupling of indole and thiazole fragments followed by formation of the thiolactone in

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