CAS 219963-62-9 1-Bromo-2,5-dichloro-3-nitrobenzene (HCID 18354554)

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Basic information

CAS: 219963-62-9
Standard SMILES: O=[N+]([O-])c1cc(Cl)cc(Br)c1Cl
InChIKey: XTTZFLRDPMATAY-UHFFFAOYSA-N
Molecular formula: C6H2BrCl2NO2
Average molar mass: 270.89 g/mol
Monoisotopic mass: 268.86459576

Names & identifiers

Preferred name: 1-Bromo-2,5-dichloro-3-nitrobenzene
IUPAC: 1-bromo-2,5-dichloro-3-nitrobenzene
English name: 3-Bromo-2,5-dichloronitrobenzene
Molecular formula: C6H2BrCl2NO2
Molecular weight: 270.9

Names & synonyms

1-bromo-2,5-dichloro-3-nitrobenzene219963-62-93-Bromo-2,5-dichloronitrobenzeneSCHEMBL1494433DTXSID60593044XTTZFLRDPMATAY-UHFFFAOYSA-N3-Bromo-2,5-dichloro nitrobenzeneMFCD18379730AKOS025132030AT18858FS-60871-bromo-2,5-dichloro-3-nitro-benzene

Show more names

Benzene, 1-bromo-2,5-dichloro-3-nitro-

DB-089309CS-0436718F062566

Database identifiers

CAS: 219963-62-9
PubChem CID: 18354554
DTXSID: DTXSID60593044

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 187

Physicochemical properties

Melting point: 48 · 48-51°
Boiling point: 305.6 · 305.6±37.0 °C(Predicted)
Density: 1.916 · 1.916±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338