Basic information
- CAS
586-11-8- Standard SMILES
O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1- InChIKey
UEMBNLWZFIWQFL-UHFFFAOYSA-N- Molecular formula
- C6H4N2O5
- Average molar mass
- 184.11 g/mol
- Monoisotopic mass
- 184.01202123
Overview
3,5-dinitrophenol is a dinitrophenol.
Names & identifiers
- Preferred name
- 3,5-Dinitrophenol
- IUPAC
- 3,5-dinitrophenol
- English name
- 3,5-Dinitrophenol
- Molecular formula
- C6H4N2O5
- Molecular weight
- 184.11
Names & synonyms
3,5-DINITROPHENOL586-11-8CHEBI:39360DTXSID80207318RefChem:1065946DTXCID80129809Phenol, 3,5-dinitro-3,5-Dinitrofenol3,5-Dinitrofenol [Czech]BRN 1879348AI3-289104-06-00-01385 (Beilstein Handbook Reference)
Show more names
AKOS BB-93673,5-dinitro-phenoTIMTEC-BB SBB009900
SCHEMBL593064SCHEMBL891797UEMBNLWZFIWQFL-UHFFFAOYSA-NAAA58611STK096911AKOS000493022CS-0262672EN300-83428
Database identifiers
- CAS
586-11-8- PubChem CID
- 11459
- DTXSID
DTXSID80207318- ChEBI
CHEBI:39360- Nikkaji
- J53.757H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 125.1 °C · 125.1°C
- Boiling point
- 318.03 °C · 318.03°C (rough estimate)
- Density
- 1.702 · 1.7020
- refractive index
- 1.4738 · 1.4738 (estimate)
- pka
- 1 · pK1:6.732 (25°C)
- Water Solubility
- 13.42 g/L · 13.42g/L(51.6 ºC)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- RIDADR
- 1320 · 1320
- HazardClass
- 4.1 · 4.1
- PackingGroup
- I
Safety & regulation
Safety data
- ridadr
- 1320
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 4.1
- packing_group
- I
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3,5-DINITROPHENOL is used in organic synthesis. As an acid-base indicator, its color change range is pH 4.0 (colorless) - 5.4 (yellow).
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 3,5-dinitrophenol is a dinitrophenol.
Related reactions
6 records
Compound notes
Loading…