1-Chloro-2,3-dinitrobenzene
Basic information
- CAS
25567-67-3- Standard SMILES
O=[N+]([O-])c1cccc(Cl)c1[N+](=O)[O-]- InChIKey
KYDXWCHDUCDNGR-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2O4
- Average molar mass
- 202.55 g/mol
- Monoisotopic mass
- 201.9781343
Overview
Chlorodinitrobenzenes appears as a colorless to yellow crystalline solid with an almond-like odor. Insoluble in water. Combustible but may be difficult to ignite. Toxic by skin absorption or inhalation (dust, etc.). May spontaneously decompose and explode under prolonged exposure to fire or heat. Produces toxic oxides of nitrogen during combustion.
Names & identifiers
- Preferred name
- 1-Chloro-2,3-dinitrobenzene
- IUPAC
- 1-chloro-2,3-dinitrobenzene
- English name
- 1-Chloro-2,3-dinitrobenzene
- Molecular formula
- C6H3ClN2O4
- Molecular weight
- 202.55
Names & synonyms
1-chloro-2,3-dinitrobenzene602-02-8Benzene, 1-chloro-2,3-dinitro-5VA83XCB6BRefChem:575835DTXSID20948455DTXCID201376686Benzene, chlorodinitro-25567-67-3ChlorodinitrobenzenesDinitrochlorobenzenesEINECS 247-109-1
Show more names
UN1577UNII-5VA83XCB6BChlorodinitrobenzene, all isomersSCHEMBL41402Indocyanine Green Impurity 38SCHEMBL9789548SCHEMBL11049111SCHEMBL11523288
Database identifiers
- CAS
25567-67-3、602-02-8- PubChem CID
- 33096
- DTXSID
DTXSID20948455- UNII
- 5VA83XCB6B
- Nikkaji
- J95.370I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Physical Description
Chlorodinitrobenzenes appears as a colorless to yellow crystalline solid with an almond-like odor. Insoluble in water. Combustible but may be difficult to ignite. Toxic by skin absorption or inhalation (dust, etc.). May spontaneously decompose and explode under prolonged exposure to fire or heat. Produces toxic oxides of nitrogen during combustion.
Physicochemical properties
- FDA UNII
- 5 VA83XCB6B · 5VA83XCB6B
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
DOT ID and Guide
1577 153
3441 153
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity ProfileThe reaction of 2,4-Dinitrochlorobenzene and hydrazine hydrate is exothermic, it shattered the reaction flask, [Wischmeyer (1967)].
DOT Hazard Classification
Chlorodinitrobenzenes, liquid or solid
Marine pollutant
Dinitrochlorobenzenes, liquid or solid
Marine pollutant
Chlorodinitrobenzenes, liquid.
UN1577
Air and Water ReactionsInsoluble in water.
Safety & protection
Fire Fighting
Chemistry & industry
Pharmacology
Metabolism/Metabolites1-chloro-2,3-dinitrobenzene has known human metabolites that include S-(2,3-dinitrophenyl)glutathione.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
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Compound notes
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