2-bromo-6,7,8,9-tetrahydro-5H-benzo(7)annulen-5-one

HCID 10243312

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Basic information

CAS: 169192-93-2
Standard SMILES: O=C1CCCCc2cc(Br)ccc21
InChIKey: XXOUVYNCUSZBHH-UHFFFAOYSA-N
Molecular formula: C11H11BrO
Average molar mass: 239.11 g/mol
Monoisotopic mass: 237.99932707

Names & identifiers

Preferred name: 2-bromo-6,7,8,9-tetrahydro-5H-benzo(7)annulen-5-one
IUPAC: 2-bromo-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
English name: 2-BROMO-6,7,8,9-TETRAHYDRO-BENZOCYCLOHEPTEN-5-ONE
Molecular formula: C11H11BrO
Molecular weight: 239.11

Names & synonyms

169192-93-22-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-oneDTXSID804372342-bromo-6,7,8,9-tetrahydro-5H-benzo(7)annulen-5-oneRefChem:257413DTXCID60388058831-746-22-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one2-bromo-6,7,8,9-tetrahydrobenzo[7]annulen-5-one2-BROMO-6,7,8,9-TETRAHYDRO-BENZOCYCLOHEPTEN-5-ONE5H-Benzocyclohepten-5-one, 2-bromo-6,7,8,9-tetrahydro-MFCD06804506

Show more names

6-bromo-1,2,3,4-tetrahydrobenzo[7]annulen-9-one2-broMo-6.7.8.9-tetrahydrobenzo[7]annulen-5-one2-bromo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one

SCHEMBL5707062-bromo-benzo[b]cycloheptanoneSCHEMBL29521431XXOUVYNCUSZBHH-UHFFFAOYSA-NAKOS016003865SB34183AS-30418DA-26760

Database identifiers

CAS: 169192-93-2
PubChem CID: 10243312
DTXSID: DTXSID80437234
EC Number: 831-746-2

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 202

Physicochemical properties

Boiling point: 140 · 140-142 °C(Press: 1 Torr)
Density: 1.434 · 1.434±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

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.