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155969

Sigma-Aldrich

Methyl 2-nitrobenzoate

98%

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About This Item

Linear Formula:
O2NC6H4CO2CH3
CAS Number:
Molecular Weight:
181.15
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.534 (lit.)

bp

104-106 °C/0.1 mmHg (lit.)

mp

−13 °C (lit.)

density

1.28 g/mL at 25 °C (lit.)

SMILES string

COC(=O)c1ccccc1[N+]([O-])=O

InChI

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

InChI key

AOXPHVNMBPFOFS-UHFFFAOYSA-N

Application

Methyl 2-nitrobenzoate may be used in chemical synthesis studies.

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup


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Yan Feng et al.
Scientific reports, 8(1), 7902-7902 (2018-05-23)
Benzyl methyl ester, also known as methyl benzoate (MB), is a volatile organic compound that exists naturally as a floral fragrance in many plants. Our behavioral bioassays show that MB and some of its naturally occurring and synthetic analogs kill
Yong-Hak Kim et al.
Applied and environmental microbiology, 81(15), 5266-5277 (2015-05-31)
The bacterial 2-nitroreductase NbaA is the primary enzyme initiating the degradation of 2-nitrobenzoate (2-NBA), and its activity is controlled by posttranslational modifications. To date, the structure of NbaA remains to be elucidated. In this study, the crystal structure of a

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