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139823

Sigma-Aldrich

4-Methyl-3-nitroanisole

99%

Synonym(s):

4-Methoxy-2-nitrotoluene

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About This Item

Linear Formula:
CH3C6H3(NO2)OCH3
CAS Number:
17484-36-5
Molecular Weight:
167.16
Beilstein:
2047309
EC Number:
241-500-0
MDL number:
MFCD00007173
UNSPSC Code:
12352100
PubChem Substance ID:
24848434

Assay

99%

form

liquid

refractive index

n20/D 1.552 (lit.)

bp

266-267 °C (lit.)

mp

17 °C (lit.)

density

1.207 g/mL at 25 °C (lit.)

SMILES string

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

InChI

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

InChI key

JBORNNNGTJSTLC-UHFFFAOYSA-N

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Application

4-Methyl-3-nitroanisole was used as external standard in synthesis of antibody catalysts by bait and switch hapten strategy. It was used as starting material for synthesis of 4-fluoro and 2-fluoro-substituted acetylcholinesterase inhibitors.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ1512
05626ED
S45806
09915BW
08204CD

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P Wentworth et al.
Proceedings of the National Academy of Sciences of the United States of America, 95(11), 5971-5975 (1998-05-30)
General base catalysis supplied by the histidine-12 (H-12) residue of ribonuclease (RNase) A has long been appreciated as a major component of the catalytic power of the enzyme. In an attempt to harness the catalytic power of a general base
Sang-Yoon Lee et al.
Nuclear medicine communications, 25(6), 591-596 (2004-05-29)
Acetylcholinesterase (AChE) is an important cholinergic marker for the diagnosis of Alzheimer's disease (AD). A recent study has demonstrated that C-labelled 5,7-dihydro-7-methyl-3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-6H-pyrrolo[3,2-f]-1,2-benzisoxazol-6-one (CP-126,998) shows promising results. The demethylated form of this ligand (CP-118,954) is a more potent and selective inhibitor

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