Chemical identity
3-(3-Trifluoromethyl-phenyl)-acrylic acid ethyl ester
CAS 113048-68-3 · C12H11F3O2
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-02357 |
|---|---|
| PubChem CID | 10562229 |
| Name | 3-(3-Trifluoromethyl-phenyl)-acrylic acid ethyl ester |
| CAS RN | 113048-68-3 |
| Molecular formula | C12H11F3O2 |
| Molecular weight | 244.21 g/mol |
| IUPAC name | 3-(3-Trifluoromethyl-phenyl)-acrylic acid ethyl ester |
| InChIKey | RAEFFHZPTOFBED-VOTSOKGWSA-N |
02Structure identifiers
Structure facts for this exact identity.
| Molecular formula | C12H11F3O2 |
|---|---|
| InChIKey | RAEFFHZPTOFBED-VOTSOKGWSA-N |
| Ring count | 1 |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 0 |
| SMILES | O=C(OCC)/C=C/C1=CC=CC(C(F)(F)F)=C1 |
|---|---|
| InChI | InChI=1S/C12H11F3O2/c1-2-17-11(16)7-6-9-4-3-5-10(8-9)12(13,14)15/h3-8H,2H2,1H3/b7-6+ |
03India status for this compound
These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.
| NDPS / RCS | NOT FOUND IN REVIEWED ENTRIES | CAS 113048-68-3 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | CAS 113048-68-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · source version 1985-09-16
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · source version 2026-03-11
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · source version 2024-09-02
04Names and relationships
Associated parent compound
Cinacalcet
View API and impurity familyOther names
- Ethyl 3-(3-(trifluoromethyl)phenyl)acrylate
- Ethyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
- (E)-ethyl 3-(3-(trifluoromethyl)phenyl)acrylate
05Documented history
Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.
No verified discovery, first report, occurrence, use or issue event is currently available for this identity.
06Sources
- S01PubChem compound record, CID 10562229
Names and machine-readable chemical identity properties.
- S02NCBI website and molecular data policies
Reuse policy for NCBI molecular data. This page does not reproduce vendor descriptions or contributed narrative text.
- S03Narcotic Drugs and Psychotropic Substances Act, 1985, Schedule
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S04Controlled-substances notifications and amendments
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S05Appendix 3, SCOMET List
Directorate General of Foreign Trade, Government of India. Used for the exact-compound India status shown on this page.