Basic information
- CAS
3770-98-7- Standard SMILES
CC(=O)C(Br)(Br)Br- InChIKey
OHJUXYKQXTXBTR-UHFFFAOYSA-N- Molecular formula
- C3H3Br3O
- Average molar mass
- 294.77 g/mol
- Monoisotopic mass
- 291.7734
Names & identifiers
- Preferred name
- 1,1,1-Tribromoacetone
- IUPAC
- 1,1,1-tribromopropan-2-one
- English name
- 2-Propanone, 1,1,1-tribromo-
- Molecular formula
- C3H3Br3O
- Molecular weight
- 294.77
Names & synonyms
1,1,1-Tribromoacetone3770-98-71,1,1-tribromopropan-2-one2-Propanone, 1,1,1-tribromo-Tribromaceton1,1,1-Tribromopropanone1,1,1-Tribromoacetone #orb1690562SCHEMBL4822982SCHEMBL27458305DTXSID30336849OHJUXYKQXTXBTR-UHFFFAOYSA-N
Show more names
AKOS040758098DB-336889HY-133623CS-0128449T40476
Database identifiers
- CAS
3770-98-7- PubChem CID
- 536749
- DTXSID
DTXSID30336849
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 82.7
Physicochemical properties
- Boiling point
- 90 · 90-91 °C(Press: 13 Torr)
- Density
- 2.568 · 2.568±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
Uses1,1,1-Tribromoacetone is a tribromide product based on bromoacetone[1].
Suppliers4 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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