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About This Item
Linear Formula:
CH3OC6H3(NO2)CHO
CAS Number:
Molecular Weight:
181.15
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
assay
97%
mp
97-100 °C (lit.)
functional group
aldehyde
nitro
SMILES string
COc1ccc(C=O)cc1[N+]([O-])=O
InChI
1S/C8H7NO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5H,1H3
InChI key
YTCRQCGRYCKYNO-UHFFFAOYSA-N
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Xiaojun Han et al.
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Joshua R Ring et al.
Acta crystallographica. Section C, Crystal structure communications, 63(Pt 7), o392-o394 (2007-07-05)
In the title compound, C(9)H(12)N(5)O(3)(+) x Cl(-), the cation is almost entirely planar. The imine double bond is exclusively in the E geometry.
Polymorphism in 4-methoxy-3-nitrobenzaldehyde.
Wishkerman S, et al.
Crystal Growth & Design, 6(6), 1366-1373 (2006)
Tele nucleophilic aromatic substitutions in 1-nitro-3-and 1, 3-dinitro-5-trichloromethylbenzene, and 3-trichloromethylbenzonitrile. A new synthesis of the 1, 4-benzothiazine-3 (4H)-one ring system from 3-nitrobenzoic acid.
Giannopoulos T, et al.
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