2-Bromocyclopentane-1,3-dione
Basic information
- CAS
14203-24-8- Standard SMILES
O=C1CCC(=O)C1Br- InChIKey
ROZCQYLERXSBBC-UHFFFAOYSA-N- Molecular formula
- C5H5BrO2
- Average molar mass
- 177 g/mol
- Monoisotopic mass
- 175.94729
Names & identifiers
- Preferred name
- 2-Bromocyclopentane-1,3-dione
- IUPAC
- 2-bromocyclopentane-1,3-dione
- English name
- 2-Bromo-1,3-cyclopentanedione
- Molecular formula
- C5H5BrO2
- Molecular weight
- 177
Names & synonyms
2-Bromocyclopentane-1,3-dione14203-24-81,3-Cyclopentanedione, 2-bromo-DTXSID40344955RefChem:85861DTXCID20296029831-159-1ROZCQYLERXSBBC-UHFFFAOYSA-N2-Bromo-1,3-cyclopentanedioneMFCD12827833SCHEMBL18519942-Bromo-1,3-cyclopentanedione #
Show more names
PAA20324SBB089224AKOS005073028HD-0702SY123654DB-1276182-Bromo-1,3-Cyclopentanedione(WXC04141)CS-0036203
Database identifiers
- CAS
14203-24-8- PubChem CID
- 600689
- DTXSID
DTXSID40344955- EC Number
- 831-159-1
- Nikkaji
- J145.026C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Melting point
- 197 · 197-199DEC°
- Boiling point
- 259 · 259.0±40.0 °C(Predicted)
- Density
- 1.842 · 1.842±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 6.99 · 6.99±0.20(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HazardClass
- IRRITANT
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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