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2,6-Dinitrophenyl methyl ether

HCID 597719
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
3535-67-9
Standard SMILES
COc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
InChIKey
DZVZPFZSAYLSDU-UHFFFAOYSA-N
Molecular formula
C7H6N2O5
Average molar mass
198.13 g/mol
Monoisotopic mass
198.02767129

Names & identifiers

Preferred name
2,6-Dinitrophenyl methyl ether
IUPAC
2-methoxy-1,3-dinitrobenzene
English name
2,6-Dinitroanisole
Molecular formula
C7H6N2O5
Molecular weight
198.13

Names & synonyms

2-methoxy-1,3-dinitrobenzene3535-67-92,6-Dinitrophenyl methyl ether2,6-DINITROANISOLE2-methoxy-1,3-dinitro-benzeneBenzene, 2-methoxy-1,3-dinitro-Benzene,2-methoxy-1,3-dinitro-Anisole, 2,6-dinitro-SCHEMBL358770SCHEMBL1355833SCHEMBL40093042,6-Dinitro-1-methoxy-benzene
Show more names
2,6-Dinitroanisole in isopropanol
DTXSID903445412,6-Dinitrophenyl methyl ether #BBL023307MFCD09037655STL289915AKOS006331141VS-07390DB-216766

Database identifiers

CAS
3535-67-9
PubChem CID
597719
DTXSID
DTXSID90344541
Nikkaji
J485.969C

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
101 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
211

Physicochemical properties

Melting point
118 °C · 118°C
Boiling point
335.43 °C · 335.43°C (rough estimate)
Density
1.3 · 1.3000
refractive index
1.546 · 1.5460 (estimate)

Chemistry & industry

Applications

Uses2,6-Dinitrophenyl Methyl Ether is a binder; used in method for fabrication of granules of compressible explosive compound.

Upstream & downstream products

Downstream products

2-methoxy-m-phenylenediamine2-Nitroanisole

Suppliers4 total

吉林中科研伸科技有限公司18143011203 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]

Related reactions

6 records
New reaction record
HRID 131077 reaction equation
HRID 131077As productuspto-grants-2008_06
HRID 131078 reaction equation
HRID 131078As reactantuspto-grants-2008_06
HRID 1148203 reaction equation
HRID 1148203As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1501875 reaction equation
HRID 1501875As productuspto-grants-2015_12
HRID 1501876 reaction equation
HRID 1501876As reactantuspto-grants-2015_12
HRID 1773497 reaction equation
HRID 1773497As reactantuspto-grants-2016_02

Compound notes

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