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About This Item
Linear Formula:
CH3C6H3(NO2)OCH3
CAS Number:
Molecular Weight:
167.16
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
99%
form
liquid
refractive index
n20/D 1.557 (lit.)
bp
154 °C/14 mmHg (lit.)
mp
8-9 °C (lit.)
density
1.205 g/mL at 25 °C (lit.)
SMILES string
COc1ccc(C)cc1[N+]([O-])=O
InChI
1S/C8H9NO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3
InChI key
LGNMURXRPLMVJI-UHFFFAOYSA-N
Related Categories
General description
Nucleophilic substitution reactions of 4-methyl-2-nitroanisole in neat cyclohexylamine and piperidine have been reported.
Application
4-Methyl-2-nitroanisole may be used in the synthesis of 1-dibromomethyl-4-methoxy-2-nitrobenzene.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Theoretical calculations of chemical interactions. Part 4. Aromatic nucleophilic substitutions and SN 2 reactions of 4-and 6-substituted 2-nitroanisoles.
Nudelman NS and Palleros DR.
J. Chem. Soc. Perkin Trans. II, 6, 805-809 (1985)
Hoong-Kun Fun et al.
Acta crystallographica. Section E, Structure reports online, 65(Pt 9), o2193-o2194 (2009-01-01)
The asymmetric unit of the title compound, C(8)H(7)Br(2)NO(3), comprises two crystallographically independent mol-ecules (A and B). The nitro groups are twisted from the attached benzene rings, making dihedral angles of 39.26 (9) and 35.90 (9)° in mol-ecules A and B, respectively. In
Yusuke Yamamoto et al.
The Journal of toxicological sciences, 44(9), 585-600 (2019-09-03)
Amino acid derivative reactivity assay (ADRA) has previously been developed as an alternative method to direct peptide reactivity assay (DPRA) to evaluate key event 1 in skin sensitization mechanisms. However, when using alternative methods for skin sensitization, integrated approaches to
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