Basic information
- CAS
461432-22-4- Standard SMILES
CCOc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1- InChIKey
OEURLNJEQCLGPS-UHFFFAOYSA-N- Molecular formula
- C15H12BrClO2
- Average molar mass
- 339.61 g/mol
- Monoisotopic mass
- 337.97092
Names & identifiers
- Preferred name
- (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone
- IUPAC
- (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone
- English name
- (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone
- Molecular formula
- C15H12BrClO2
- Molecular weight
- 339.61
Names & synonyms
(5-BROMO-2-CHLOROPHENYL)(4-ETHOXYPHENYL)METHANONE461432-22-4DTXSID30434334RefChem:69591DTXCID80385160Methanone, (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-C15H12BrClO2MFCD11044417(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone5-Bromo-2-chloro-4 inverted exclamation mark -ethoxybenzophenone5-bromo-2-chloro-4'-ethoxybenzophenoneMethanone, (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)- (9CI, ACI); (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone (ACI); (2-Chloro-5-bromophenyl)(4-ethoxyphenyl)methanone
Show more names
Dapagliflozin iMpurity ADapagliflozin-15Dapagliflozin Impurity 18Dapagliflozin Intermediate IDapagliflozin Bromomethanone(5-broMo-2-chlorophenyl)(4-ethoxyphenyl)-5-bromo-2-chloro-4’-ethoxydiphenylmethanone5-Bromo-2-ChIorophenyI 4-Ethoxypheny Methanone(5-Bromo-2-chlorophenyl)(4-oxophenyl)methanone
(5-bromo-2-chloro-phenyl)-(4-ethoxyphenyl)methanoneK8AZN8C32DSCHEMBL17019SCHEMBL29809563OEURLNJEQCLGPS-UHFFFAOYSA-NCS-B0022AKOS009476100AC-27004
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 439.2 · 439.2±40.0 °C(Predicted)
- Density
- 1.437 · 1.437
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Low-Melting Solid
- color
- Off-White to Pale Yellow
- InChI
- InChI=1S/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3
- InChIKey
- OEURLNJEQCLGPS-UHFFFAOYSA-N
- SMILES
- C(C1=CC(Br)=CC=C1Cl)(C1=CC=C(OCC)C=C1)=O
- CAS DataBase Reference
- 461432 · 461432-22-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses(5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone is an intermediate used in the improved synthesis of Dapagliflozin, a novel selective sodium-glucose co-transporter type II (SGLT2) inhibitor.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
济南诚汇双达生物有限公司053158897070 15550412551 · [email protected]
南通小竹生物医药有限公司
Related reactions
13 records
Compound notes
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