1-{2-[(Oxiran-2-yl)methoxy]phenyl}-3-phenylpropan-1-one

HCID 90797CAS 22525-95-7

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(CCc1ccccc1)c1ccccc1OCC1CO1
InChIKey: AUZMQKJKLUZHBY-UHFFFAOYSA-N
Molecular formula: C18H18O3
Average molar mass: 282.339 g/mol
Monoisotopic mass: 282.12559444

Names & identifiers

Preferred name: 1-{2-[(Oxiran-2-yl)methoxy]phenyl}-3-phenylpropan-1-one
IUPAC: 1-{2-[(Oxiran-2-yl)methoxy]phenyl}-3-phenylpropan-1-one
English name: 2'-(Oxiranylmethoxy)-3-phenylpropiophenon
Molecular formula: C18H18O3
Molecular weight: 282.33

Names & synonyms

Prop-3Einecs 245-052-7Propafenone Impurity CPropafenone IMp. C (EP)Propafenone EP Impurity CPropafenone EP/BP/USP Impurity CPropafenone IMpurity C (EP/BP/USP)1-[2-[[(2RS)-Oxiranyl]methoxy]phenyPropafenone Hydrochloride EP Impurity C2'-(Oxiranylmethoxy)-3-phenylpropiophenon

Database identifiers

CAS: 22525-95-7
PubChem CID: 90797
DTXSID: DTXSID60945180
ChEMBL: CHEMBL1963193
UNII: ZK418W0W6U
EC Number: 245-052-7
Nikkaji: J286.232H

Properties

Physicochemical properties

Melting point: 56 · 56-58°C
Boiling point: 452.8 · 452.8±25.0 °C(Predicted)
Density: 1.164 · 1.164±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: Chloroform (Sparingly), Ethyl Acetate, DMSO (Slightly)
form: Solid
color: White to Off-White
Major Application: pharmaceutical small molecule
InChI: InChI=1S/C18H18O3/c19-17(11-10-14-6-2-1-3-7-14)16-8-4-5-9-18(16)21-13-15-12-20-15/h1-9,15H,10-13H2
InChIKey: AUZMQKJKLUZHBY-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1OCC1CO1)(=O)CCC1=CC=CC=C1
CAS DataBase Reference: 22525 · 22525-95-7(CAS DataBase Reference)
FDA UNII: 418 W0W6U · ZK418W0W6U
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501
REACH Registrations: Active

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
REACH Registrations: Active
Precautionary statements: P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

Uses2’-(2,3-Epoxypropoxy)-3-phenylpropiophenone (Propafenone EP Impurity C; Propafenone BP Impurity C; Propafenone USP Impurity C) is an impurity in the synthesis of propafenone (P757500).

Upstream & downstream products

Downstream products

Propafenone Hydrochloride

Suppliers50 total

Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]

上海策嵘生物科技有限公司[email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Linked notes

Loading…