Basic information
- CAS
505054-58-0- Standard SMILES
O=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCC3- InChIKey
RVVIKJAZPQYDOS-UHFFFAOYSA-N- Molecular formula
- C11H8F3N3O2
- Average molar mass
- 271.19 g/mol
- Monoisotopic mass
- 271.05686099
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.0,3,7]dodeca-2,7,9,11-tetraene-11-carboxylic acid
- IUPAC
- 2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-11-carboxylic acid
- English name
- 8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid(SALTDATA: FREE)
- Molecular formula
- C11H8F3N3O2
- Molecular weight
- 271.2
Names & synonyms
2-(Trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.0,3,7]dodeca-2,7,9,11-tetraene-11-carboxylic acid2-(trifluoromethyl)-1,8,12-triazatricyclo(7.3.0.0,3,7)dodeca-2,7,9,11-tetraene-11-carboxylic acidRefChem:462502857-742-0505054-58-08-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid8-Trifluoromethyl-6,7-dihydro-5H-cyclopenta[d]-pyrazolo[1,5-a]pyrimidine-2-carboxylic acidMFCD027369412-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-11-carboxylic acid8-Trifluoromethyl-6,7-dihydro-5H-1,4,8a-triaza-s-indacene-2-carboxylic acid2-(TRIFLUOROMETHYL)-1,8,12-TRIAZATRICYCLO[7.3.0.0(3),?]DODECA-2,7,9,11-TETRAENE-11-CARBOXYLIC ACID5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 6,7-dihydro-8-(trifluoromethyl)-
Show more names
ST5016053BAS 03153348UNM000000719101AN-329/422860138-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid(SALTDATA: FREE)
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Density
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- pka
- -2.83 · -2.83±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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