1,2-Dibromobutan-3-one
Basic information
- CAS
25109-57-3- Standard SMILES
CC(=O)C(Br)CBr- InChIKey
DRSZTATWOSZRAK-UHFFFAOYSA-N- Molecular formula
- C4H6Br2O
- Average molar mass
- 229.9 g/mol
- Monoisotopic mass
- 227.87854
Overview
1,2-dibromobutan-3-one appears as a colorless liquid. Less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
Names & identifiers
- Preferred name
- 1,2-Dibromobutan-3-one
- IUPAC
- 3,4-dibromobutan-2-one
- English name
- 1，2-Dibromo-3-butanone
- Molecular formula
- C4H6Br2O
- Molecular weight
- 229.9
Names & synonyms
1,2-Dibromobutan-3-oneDIBROMOBUTANONERefChem:4115553,4-dibromobutan-2-one2-Butanone, 3,4-dibromo-25109-57-31,2-Dibromo-3-butanoneUN26481,2-Dibrombutan-3-onSCHEMBL988807SCHEMBL10388970DTXSID50947971
Show more names
Dibromoketone3，4-Dibromobutanone1，2-Dibromo-3-butanone3,4-Dibromo-2-butanone
DB-2039401,2-Dibromobutan-3-one [UN2648] [Poison]
Database identifiers
- CAS
25109-57-3- PubChem CID
- 62791
- DTXSID
DTXSID50947971- Nikkaji
- J70.074F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.1
Experimental & physicochemical properties
Physical Description1,2-dibromobutan-3-one appears as a colorless liquid. Less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
Physicochemical properties
- Boiling point
- 97 °C · 97 °C(Press: 15 Torr)
- Density
- 1.9594 · 1.9594
- refractive index
- 1.5314 · 1.5314 (estimate)
- EPA Substance Registry System
- 2 · 2-Butanone, 3,4-dibromo- (25109-57-3)
- RIDADR
- 2648 · UN 2648 (1,2-DIBROMOBUTAN-3-ONE)
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
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 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.
Health Hazards
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
DOT ID and Guide2648 154
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity Profile
A halogenated ketone. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
DOT Hazard Classification
1,2-Dibromobutan-3-one
UN2648
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Slightly soluble in water.
Chemistry & industry
Upstream & downstream products
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