Basic information
- CAS
480438-94-6- Standard SMILES
C=CC(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1- InChIKey
WJZFVBAYCVHWRE-UHFFFAOYSA-N- Molecular formula
- C13H8F3NO3
- Average molar mass
- 283.2 g/mol
- Monoisotopic mass
- 283.0456276
Names & identifiers
- Preferred name
- N-[2-Oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-2-propenamide
- IUPAC
- N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamide
- English name
- 7-(4-Trifluoromethyl)coumarin acrylamid&
- Molecular formula
- C13H8F3NO3
- Molecular weight
- 283.2
Names & synonyms
480438-94-6N-[2-Oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-2-propenamideN-(2-Oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl)-2-propenamideRefChem:360980N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamideN-(2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl)acrylamide7-(4-TRIFLUOROMETHYL)COUMARIN ACRYLAMID&7-[4-(Trifluoromethyl)coumarin]acrylamide7-(4-TRIFLUOROMETHYL)COUMARIN ACRYLAMID&;7-(Acryloylamino)-4-trifluoromethylcoumarin,N-(2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl)acrylamideSCHEMBL12703486DTXSID204034587-[4-(trifluoromethyl)-coumarin] acrylamid
Show more names
Riociguat Impurity 472-Propenamide, N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-7-(Acryloylamino)-4-trifluoromethylcoumarin, N-(2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl)acrylamide
H429697-[4-(Trifluoromethyl)coumarin]acrylamide, 98%N-[2-Oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]prop-2-enamide
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Melting point
- 222 · 222-224 °C (dec.)(lit.)
- Boiling point
- 402.9 · 402.9±45.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.76 · 11.76±0.20(Predicted)
- λmax
- 342 nm · 342 nm
- InChI
- 1S/C13H8F3NO3/c1-2-11(18)17-7-3-4-8-9(13(14,15)16)6-12(19)20-10(8)5-7/h2-6H,1H2,(H,17,18)
- InChIKey
- WJZFVBAYCVHWRE-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C1=CC(=O)Oc2cc(NC(=O)C=C)ccc12
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 2
- ridadr
- UN 3082 9/PG 3
- risk_code
- 36/37/38-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,N
- safety_code
- 26-28-61
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Applications
UsesFluorescent monomer
Suppliers11 total
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
南京健傲医药科技有限公司18915922978 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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