Basic information
- CAS
115093-99-7- Standard SMILES
NC(=O)C=Cc1ccc(C(F)(F)F)cc1- InChIKey
BPRFEFAHXYCKRO-UHFFFAOYSA-N- Molecular formula
- C10H8F3NO
- Average molar mass
- 215.17 g/mol
- Monoisotopic mass
- 215.05579854
Names & identifiers
- Preferred name
- 4-(Trifluoromethyl)-cinnamamide
- IUPAC
- 3-[4-(trifluoromethyl)phenyl]prop-2-enamide
- English name
- 4-(TRIFLUOROMETHYL)CINNAMAMIDE
- Molecular formula
- C10H8F3NO
- Molecular weight
- 215.17
Names & synonyms
4-(trifluoromethyl)-cinnamamide3-[4-(trifluoromethyl)phenyl]prop-2-enamide3-[4-(trifluoromethyl)phenyl]-2-propenamideSCHEMBL1124278DTXSID103812313-(4-trifluoromethyl-phenyl)-acrylamidePTF-CNM4-(TRIFLUOROMETHYL)CINNAMAMIDE4-(Trifluoromethyl)cinnamamide98%4-(Trifluoromethyl)cinnamamide 98%3-(4-(Trifluoromethyl)phenyl)acrylamide2-Propenamide, 3-[4-(trifluoromethyl)phenyl]-, (2E)-
Database identifiers
- CAS
115093-99-7- PubChem CID
- 2779012
- DTXSID
DTXSID10381231
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 336.4 · 336.4±42.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- pka
- 14.71 · 14.71±0.50(Predicted)
- form
- solid
- color
- White
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety data
- hs_code
- 2924297099
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers10 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
天津研楷科技有限公司18500985499
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
济南药研药物化学有限公司[email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
9 records
Compound notes
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