2-Bromo-1,3-dinitrobenzene

HCID 13802438
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Basic information

CAS
4185-79-9
Standard SMILES
O=[N+]([O-])c1cccc([N+](=O)[O-])c1Br
InChIKey
IXKSHNVIXFVYLF-UHFFFAOYSA-N
Molecular formula
C6H3BrN2O4
Average molar mass
247 g/mol
Monoisotopic mass
245.92761868

Names & identifiers

Preferred name
2-Bromo-1,3-dinitrobenzene
IUPAC
2-bromo-1,3-dinitrobenzene
English name
2-bromo-1,3-dinitrobenzene
Molecular formula
C6H3BrN2O4
Molecular weight
247

Names & synonyms

2-BROMO-1,3-DINITROBENZENE4185-79-9DTXSID40549908RefChem:85613DTXCID605006922-Bromo-1,3-dinitro-benzene2,6-dinitrobromobenzeneSCHEMBL3126302SCHEMBL9789544IXKSHNVIXFVYLF-UHFFFAOYSA-NAKOS016008948DB-364687
Show more names
Benzene, 2-bromo-1,3-dinitro-
EN300-103501

Database identifiers

CAS
4185-79-9
PubChem CID
13802438
DTXSID
DTXSID40549908
Nikkaji
J1.238.496C

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
91.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point
107 ℃ · 107℃ (cyclohexane )
Boiling point
259.8 · 259.8±20.0 °C(Predicted)
Density
1.91 · 1.910±0.06 g/cm3(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers2 total

上海德谷医药科技有限公司[email protected]
南京予善化工有限公司[email protected]

Related reactions

1 records
New reaction record

Compound notes

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