Basic information
- CAS
117824-54-1- Standard SMILES
Cc1cc(Br)c(N)c(Br)c1[N+](=O)[O-]- InChIKey
VTJZDAXQMSBASS-UHFFFAOYSA-N- Molecular formula
- C7H6Br2N2O2
- Average molar mass
- 309.94 g/mol
- Monoisotopic mass
- 307.8796
Names & identifiers
- Preferred name
- 2,6-Dibromo-4-methyl-3-nitrobenzenamine
- IUPAC
- 2,6-dibromo-4-methyl-3-nitroaniline
- English name
- 2,6-dibromo-4-methyl-3-nitroaniline
- Molecular formula
- C7H6Br2N2O2
- Molecular weight
- 309.94
Names & synonyms
117824-54-12,6-Dibromo-4-methyl-3-nitrobenzenamineRefChem:2481862,6-dibromo-4-methyl-3-nitroaniline2,6-dibromo-4-methyl-3-nitro-anilineDTXSID2012793813,5-dibromo-4-amino-2-nitrotolueneAN-584/43362392F037696Benzenamine, 2,6-dibromo-4-methyl-3-nitro-
Database identifiers
- CAS
117824-54-1- PubChem CID
- 8167256
- DTXSID
DTXSID201279381- Nikkaji
- J257.644I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 81 · 81-82 °C
- Boiling point
- 333.8 · 333.8±37.0 °C(Predicted)
- Density
- 2.036 · 2.036±0.06 g/cm3(Predicted)
- pka
- -1.08 · -1.08±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
Fluorochem Ltd[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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