Dinitrocresols
Basic information
- CAS
68191-07-1- Standard SMILES
Cc1ccc(O)c([N+](=O)[O-])c1[N+](=O)[O-]- InChIKey
HIQCTHFRLRVNPP-UHFFFAOYSA-N- Molecular formula
- C7H6N2O5
- Average molar mass
- 198.13 g/mol
- Monoisotopic mass
- 198.0276713
Overview
Derivatives of CRESOLS containing two nitro groups.
Names & identifiers
- Preferred name
- Dinitrocresols
- IUPAC
- 4-methyl-2,3-dinitrophenol
- English name
- 4-Methyl-2,3-dinitrophenol
- Molecular formula
- C7H6N2O5
- Molecular weight
- 198.13
Names & synonyms
12167-18-9DinitrocresolsDinitromethylphenolMethyldinitrophenolCresol, dinitro-Phenol, methyldinitro-RefChem:588673DTXSID908915254-METHYL-2,3-DINITROPHENOL68191-07-1MFCD18381202Phenol, methyldinitro- (9CI)
Show more names
Phenol, 4-methyl-2,3-dinitro-
2,3-Dinitro-4-methylphenolDinitroparakresol4-methyl-2,3-dinitro-phenolSCHEMBL2881308DTXSID60987702HIQCTHFRLRVNPP-UHFFFAOYSA-NAKOS016012059DB-090690
Database identifiers
- CAS
68191-07-1- PubChem CID
- 50098
- DTXSID
DTXSID60987702- Nikkaji
- J338.423C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 157 · 157-158℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
3 records
Compound notes
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