155969
Methyl 2-nitrobenzoate
98%
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About This Item
Linear Formula:
O2NC6H4CO2CH3
CAS Number:
Molecular Weight:
181.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
210-111-8
MDL number:
Product Name
Methyl 2-nitrobenzoate, 98%
InChI key
AOXPHVNMBPFOFS-UHFFFAOYSA-N
InChI
1S/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5H,1H3
SMILES string
COC(=O)c1ccccc1[N+]([O-])=O
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.)
Application
Methyl 2-nitrobenzoate may be used in chemical synthesis studies.
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
Regulatory Information
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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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