Basic information
- CAS
35860-51-6- Standard SMILES
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1O- InChIKey
LQCKFXAPVKCRRU-UHFFFAOYSA-N- Molecular formula
- C6H4N2O6
- Average molar mass
- 200.11 g/mol
- Monoisotopic mass
- 200.00693585
Names & identifiers
- Preferred name
- 2,4-Dinitroresorcinol
- IUPAC
- 2,4-dinitrobenzene-1,3-diol
- English name
- 2，4-Dinitro-1，3-benzene diol
- Molecular formula
- C6H4N2O6
- Molecular weight
- 200.11
Names & synonyms
2,4-DINITRORESORCINOL519-44-81,3-Benzenediol, 2,4-dinitro-EG63RYX560NSC-243680Resorcinol, 2,4-dinitro-3-HYDROXY-2,4-DINITROPHENOLRefChem:1059795208-270-32,4-dinitrobenzene-1,3-diol2,4-Dinitro-1,3-benzenediol1,3-Benzenediol, dinitro-
Show more names
2，4-Dinitroresorcinol2，4-Dinitro-1，3-benzene diol
dinitroresorcinol35860-51-6UNII-EG63RYX560EINECS 208-270-3UN0078UN1322NSC 243680Resorcinol,4-dinitro-
Database identifiers
- CAS
35860-51-6、519-44-8- PubChem CID
- 10613
- DTXSID
DTXSID80862103- UNII
- EG63RYX560
- EC Number
- 208-270-3
- Nikkaji
- J6.594C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
Chemical Classes
Nitrogen Compounds -> Nitros, Aromatic
Flammable agents - 3rd degree
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP2.1
Vapor Pressure0.00000019 [mmHg]
Physical DescriptionYellow solid; [Merck Index] White to light-colored solid; [CAMEO]
Physicochemical properties
- Melting point
- 147.5 °C · 147.5°C
- Boiling point
- 337.8 °C · 337.8°C (rough estimate)
- Density
- 1.7942 · 1.7942 (rough estimate)
- refractive index
- 1.4738 · 1.4738 (estimate)
- pka
- 4.25 · 4.25±0.24(Predicted)
- Water Solubility
- 6.261 g/L · 6.261g/L(57.70 ºC)
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
H201 (100%): (Deleted) Explosive; mass explosion hazard [Danger Explosives]
P210, P230, P240, P250, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Danger
H201: (Deleted) Explosive; mass explosion hazard [Danger Explosives]
Hazard information
Regulatory Information
Chemical: 1,3-Benzenediol, dinitro-
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards· Flammable/combustible material.
Health Hazards
· Some are toxic and may be fatal if inhaled, ingested or absorbed through skin. Specifically, Dinitrophenol, wetted (UN1320); Dinitrophenolates, wetted (UN1321), Sodium dinitro-o-cresolate, wetted (UN1348); and Barium azide, wetted (UN1571) are known to be toxic.
Hazards SummaryExplodes on intense heating; [Merck Index] A strong oxidizing agent; Can explode from heat or shock when dry; May cause irritation; [CAMEO] See Styphnic acid.
DOT ID and Guide1322 113
DOT Hazard Classification
Dinitroresorcinol, dry or wetted with less than 15 percent water, by mass
UN0078
Div 1.1 Explosives (with a mass explosion hazard) (49 eCFR § 173.50)
Chemistry & industry
Uses & manufacturing
Uses
Used for dyeing fabrics and as a reagent for cobalt and iron; [Merck Index] Used to make other chemicals; [CAMEO]
Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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