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155977

Sigma-Aldrich

Methyl 3-nitrobenzoate

99%

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About This Item

Linear Formula:
O2NC6H4CO2CH3
CAS Number:
618-95-1
Molecular Weight:
181.15
EC Number:
210-573-0
MDL number:
MFCD00007250
UNSPSC Code:
12352100
PubChem Substance ID:
24849585
NACRES:
NA.22

Quality Level

100

Assay

99%

bp

279 °C (lit.)

mp

78-80 °C (lit.)

functional group

ester
nitro

SMILES string

COC(=O)c1cccc(c1)[N+]([O-])=O

InChI

1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3

InChI key

AXLYJLKKPUICKV-UHFFFAOYSA-N

Application

Methyl 3-nitrobenzoate was used in the preparation of iodoarene.

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
MKCQ8684
MKCL5780
MKCG5609
MKCD1008
MKCC1788

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Shawn J Stachel et al.
Bioorganic & medicinal chemistry letters, 16(3), 641-644 (2005-11-03)
We have synthesized and evaluated a series of conformationally biased P3 amide replacements based on an isophthalamide lead structure. The studies resulted in the identification of the beta-secretase inhibitor 7m which has an in vitro IC(50)=35 nM. The synthesis and

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