2,3,4-Trichloro-1,5-dinitrobenzene

HCID 22875

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Basic information

CAS: 6379-46-0
Standard SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl
InChIKey: WUMOEIUPWHYXBM-UHFFFAOYSA-N
Molecular formula: C6HCl3N2O4
Average molar mass: 271.4 g/mol
Monoisotopic mass: 269.90018955

Names & identifiers

Preferred name: 2,3,4-Trichloro-1,5-dinitrobenzene
IUPAC: 2,3,4-trichloro-1,5-dinitrobenzene
English name: 1,2,3-Trichloro-4,6-dinitrobenzene
Molecular formula: C6HCl3N2O4
Molecular weight: 271.44

Names & synonyms

2,3,4-trichloro-1,5-dinitrobenzene6379-46-01,2,3-TRICHLORO-4,6-DINITROBENZENEBenzene, 2,3,4-trichloro-1,5-dinitro-NSC-68092WWX2C7D4QHDTXSID1021376RefChem:1059204DTXCID201376Vancide PB4,6-Dinitro-1,2,3-trichlorobenzeneAnagrelide impurity 3

Show more names

Anagrelide Impurity 12

NSC 680921,5-Dinitro-2,3,4-trichlorobenzeneBRN 2508567Benzene, 1,2,3-trichloro-4,6-dinitro-Benzene, 4,6-dinitro-1,2,3-trichloro-NSC68092TCDNB4-05-00-00749 (Beilstein Handbook Reference)

Database identifiers

CAS: 6379-46-0
PubChem CID: 22875
DTXSID: DTXSID1021376
UNII: WWX2C7D4QH
Nikkaji: J8.401H

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 91.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 253

Physicochemical properties

Melting point: 98 °C · 98°C
Boiling point: 347.9 · 347.9±37.0 °C(Predicted)
Density: 2.2434 · 2.2434 (rough estimate)
refractive index: 1.62 · 1.6200 (estimate)
EPA Substance Registry System: 2 · Benzene, 2,3,4-trichloro-1,5-dinitro- (6379-46-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338