Basic information
- CAS
25550-55-4- Standard SMILES
O=Nc1ccccc1N=O- InChIKey
XYLFFOSVQCBSDT-UHFFFAOYSA-N- Molecular formula
- C6H4N2O2
- Average molar mass
- 136.11 g/mol
- Monoisotopic mass
- 136.02727738
Overview
Dinitrosobenzene appears as a yellow crystalline solid. Soluble in benzene. Toxic by inhalation and ingestion skin absorption. A strong irritant. Primary hazard is fire with a minor blast or projection hazard, but not a mass explosion hazard. May explode under prolonged exposure to heat or fire.
Names & identifiers
- Preferred name
- 1,2-Dinitrosobenzene
- IUPAC
- 1,2-dinitrosobenzene
- English name
- 1,2-Dinitrosobenzene
- Molecular formula
- C6H4N2O2
- Molecular weight
- 136.11
Names & synonyms
1,2-DINITROSOBENZENEBenzene, o-dinitroso-Benzene, 1,2-dinitroso-HSDB 2909NSC 404698BRN 2353866UNII-I5K60N2068I5K60N2068NSC-404698DTXSID602270394-05-00-00707 (Beilstein Handbook Reference)1,2-DINITROSOBENZENE [HSDB]
Show more names
Benzene, odinitrosoBenzene, 1,2dinitrosoRefChem:71995DTXCID10149530Benzene, 1,2-dinitroso-(9CI)7617-57-4NSC40469825550-55-4
Database identifiers
- CAS
25550-55-4、7617-57-4- PubChem CID
- 24259
- DTXSID
DTXSID60227039- UNII
- I5K60N2068
- Nikkaji
- J54.885E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physical Description
Dinitrosobenzene appears as a yellow crystalline solid. Soluble in benzene. Toxic by inhalation and ingestion skin absorption. A strong irritant. Primary hazard is fire with a minor blast or projection hazard, but not a mass explosion hazard. May explode under prolonged exposure to heat or fire.
Physicochemical properties
- FDA UNII
- 5 K60N2068 · I5K60N2068
- Hazardous Substances Data
- 7617 · 7617-57-4(Hazardous Substances Data)
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 LabelExplosive 1.3C
Fire HazardsExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Health HazardsExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Hazards SummarySee p-Dinitrosobenzene.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity AlertsExplosive
Reactivity Profile
Materials in this group range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.
Air and Water ReactionsSlightly soluble in water.
Safety & protection
Fire FightingExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
First AidExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Nonfire Spill Response
Chemistry & industry
Uses & manufacturing
Uses
Used as a crosslinking agent for natural and butyl rubber and as a monomer for polydinitrosobenzene-vulcanizing accelerator; [HSDB]
CROSSLINKING AGENT FOR NATURAL & BUTYL RUBBER; MONOMER FOR POLYDINITROSOBENZENE-VULCANIZING ACCELERATOR /DINITROSOBENZENE/
U.S. Exports
(1972) No Data /DINITROSOBENZENE/
(1975) No Data /DINITROSOBENZENE/
U.S. Imports
(1972) No Data /DINITROSOBENZENE/
(1975) No Data /DINITROSOBENZENE/
U.S. Production
(1972) No Data /DINITROSOBENZENE/
(1975) No Data /DINITROSOBENZENE/
Consumption PatternsND /DINITROSOBENZENE/
Methods of ManufacturingPROBABLY BY OXIDATION OF P-QUINONE DIOXIME /DINITROSOBENZENE/
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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