2-Bromotropone
Basic information
- CAS
932-55-8- Standard SMILES
O=c1cccccc1Br- InChIKey
OKEBJOWOKYAJRA-UHFFFAOYSA-N- Molecular formula
- C7H5BrO
- Average molar mass
- 185.02 g/mol
- Monoisotopic mass
- 183.95238
Names & identifiers
- Preferred name
- 2-Bromotropone
- IUPAC
- 2-bromocyclohepta-2,4,6-trien-1-one
- English name
- 2,4,6-Cycloheptatrien-1-one, 2-bromo-
- Molecular formula
- C7H5BrO
- Molecular weight
- 185.02
Names & synonyms
2-Bromotropone2-bromocyclohepta-2,4,6-trien-1-one2-Bromo-2,4,6-cycloheptatrien-1-one932-55-82,4,6-Cycloheptatrien-1-one, 2-bromo-SCHEMBL27319243OKEBJOWOKYAJRA-UHFFFAOYSA-NMFCD129248362-Bromo-2,4,6-cycloheptatrien-1-one #2-Bromocycloheptatrienone
Database identifiers
- CAS
932-55-8- PubChem CID
- 555161
- EC Number
- 804-558-3
- Nikkaji
- J99.476F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 60 · 60-63 °C
- Boiling point
- 269.1 · 269.1±29.0 °C(Predicted)
- Density
- 1.638 · 1.638±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05, GHS07, GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H317-H334
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P310
- Hazard Codes
- C
- Risk Statements
- 22 · 22-34-42/43
- Safety Statements
- 23 · 23-26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8 / PGIII
- WGK Germany
- 3 · 3
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3261 8 / PGIII
- risk_code
- 22-34-42/43
- Signal word
- Danger
- Symbol(GHS)
- GHS05, GHS07, GHS08
- hazard_code
- C
- safety_code
- 23-26-36/37/39-45
- Hazard statements
- H302-H314-H317-H334
- Precautionary statements
- P261-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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