6-Bromo-3,4-dihydro-4-phenyl-2H-1-benzopyran-2-one

HCID 2924973

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Basic information

CAS: 156755-23-6
Standard SMILES: O=C1CC(c2ccccc2)c2cc(Br)ccc2O1
InChIKey: KFKFQGCDFMGUCH-UHFFFAOYSA-N
Molecular formula: C15H11BrO2
Average molar mass: 303.15 g/mol
Monoisotopic mass: 301.99424169

Names & identifiers

Preferred name: 6-Bromo-3,4-dihydro-4-phenyl-2H-1-benzopyran-2-one
IUPAC: 6-bromo-4-phenyl-3,4-dihydrochromen-2-one
English name: 6-BroMo-3,4-dihydro-4-phenyl-2H-1-benzopyran-2-one
Molecular formula: C15H11BrO2
Molecular weight: 303.15

Names & synonyms

156755-23-66-Bromo-3,4-dihydro-4-phenyl-2H-1-Benzopyran-2-oneEC 923-250-0RefChem:540842923-250-06-bromo-4-phenylchroman-2-oneMFCD03686976CHEMBRDG-BB 70418666-bromo-4-phenyl-3,4-dihydrochromen-2-oneSCHEMBL7251976-Bromo-4-phenyl-2-chromanone6-bromo-4-phenyl-chroman-2-one

Show more names

6-bromo-3,4-dihydro-4-phenylchromen-2-one2H-1-Benzopyran-2-one, 6-broMo-3,4-dihydro-4-phenyl-

DTXSID80387841KFKFQGCDFMGUCH-UHFFFAOYSA-NCS-B0084AKOS027383084(+/-)-6-bromo-4-phenylchroman-2-one6-Bromo-4-phenyl-3,4-dihydro-coumarineCS-14111SY473336

Database identifiers

CAS: 156755-23-6
PubChem CID: 2924973
DTXSID: DTXSID80387841
EC Number: 923-250-0

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 312

Physicochemical properties

Boiling point: 373.7 · 373.7±41.0 °C(Predicted)
Density: 1.484 · 1.484
storage temp.: 2 · Storage temp. 2-8°C
Appearance: White to off-white Solid
REACH Registrations: Inactive

Safety & regulation

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 07-07-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7250

Safety data

REACH Registrations: Inactive

Chemistry & industry

Applications

Uses6-Bromo-3,4-dihydro-4-phenyl-2H-1-benzopyran-2-one is an intermediate in the synthesis of N-substituted amides. Also used in the preparation of Fesoterodine (F321300) derivatives.