Basic information
- CAS
64047-88-7- Standard SMILES
O=[N+]([O-])c1cc(Cl)cc(Cl)c1[O-].[Na+]- InChIKey
QSYAEOJYDZZOHF-UHFFFAOYSA-M- Molecular formula
- C6H2Cl2NNaO3
- Average molar mass
- 229.98 g/mol
- Monoisotopic mass
- 228.9309426
Names & identifiers
- Preferred name
- phenol, 2,4-dichloro-6-nitro-, sodium salt
- IUPAC
- sodium 2,4-dichloro-6-nitrophenolate
Names & synonyms
Phenol, 2,4-dichloro-6-nitro-, sodium salt2,4-Dichloro-6-nitrophenol sodium saltDTXSID50214130RefChem:368907DTXCID5013662164047-88-7sodium 2,4-dichloro-6-nitrophenolatePhenol, 2,4-dichloro-6-nitro-, sodium?salt (1:1)
Database identifiers
- CAS
64047-88-7- PubChem CID
- 46741
- DTXSID
DTXSID50214130
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and CategoriesAcute toxicity (Oral) - Category 3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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