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Key Documents

152234

Sigma-Aldrich

3-Methyl-4-nitroanisole

97%

Synonym(s):

5-Methoxy-2-nitrotoluene

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About This Item

Linear Formula:
CH3C6H3(NO2)OCH3
CAS Number:
Molecular Weight:
167.16
Beilstein:
2328600
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

mp

48-50 °C (lit.)

SMILES string

COc1ccc(c(C)c1)[N+]([O-])=O

InChI

1S/C8H9NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3

InChI key

RTZOGYCMIMOVHU-UHFFFAOYSA-N

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Application

3-Methyl-4-nitroanisole was used in the preparation of enamine.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

446.0 °F - closed cup

Flash Point(C)

230 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

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Andrew Tsotinis et al.
Chemical communications (Cambridge, England), (3)(3), 382-383 (2003-03-05)
The design and expeditious synthesis of two new indole analogs with up to 5-fold potency of that of melatonin is described.

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