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

HCID 112948

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 62778-19-2
Standard SMILES: O=[N+]([O-])c1cc(Cl)c(I)c(Cl)c1
InChIKey: FCDBEIIBODDDEJ-UHFFFAOYSA-N
Molecular formula: C6H2Cl2INO2
Average molar mass: 317.89 g/mol
Monoisotopic mass: 316.85073166

Names & identifiers

Preferred name: Benzene, 1,3-dichloro-2-iodo-5-nitro-
IUPAC: 1,3-dichloro-2-iodo-5-nitrobenzene
English name: 3,5-Dichloro-4-iodonitrobenzene
Molecular formula: C6H2Cl2INO2
Molecular weight: 317.9

Names & synonyms

1,3-Dichloro-2-iodo-5-nitrobenzene62778-19-23,5-Dichloro-4-iodonitrobenzeneBenzene, 1,3-dichloro-2-iodo-5-nitro-DTXSID60886509RefChem:562286DTXCID601025833679-748-0MFCD00059181SCHEMBL15171064-iodo-3,5-dichloro-nitrobenzeneMCA77819

Show more names

Dichloroiodonitrobenzene2,6-DICHLORO-4-NITROIODOBENZENE1,3-dichloro-2-iodo-5-nitro-benzen3,5-Dichloro-4-iodo-1-nitrobenzene3,5-DICHLORO-4-IODONITROBENZENE 99+%5-NITRO-1,3-DI CHLORO-2-IODO BENZENE1,3-Dichloro-2-iodo-5-nitrobenzene >

1,3-dichloro-2-iodo-5-nitro-benzeneAKOS009158558FS-54541,3-Dichloro-2-iodo-5-nitrobenzene #AC-26085DA-30280SY112032CS-0113014

Database identifiers

CAS: 62778-19-2
PubChem CID: 112948
DTXSID: DTXSID60886509
EC Number: 679-748-0
Nikkaji: J150.817B

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: 175

Physicochemical properties

Melting point: 153 °C · 153 °C
Boiling point: 335.5 · 335.5±42.0 °C(Predicted)
Density: 2.158 · 2.158±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: powder to crystal
color: Light orange to Yellow to Green
EPA Substance Registry System: 1 · Benzene, 1,3-dichloro-2-iodo-5-nitro- (62778-19-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312+P330-P501
TSCA: TSCA listed
HS Code: 2903.99 · 2903.99.8001