Basic information
- CAS
1025054-82-3- Standard SMILES
Cc1cn2cc(C(F)(F)F)cc2c(=O)[nH]1- InChIKey
DYHQRCYZMPRXNH-UHFFFAOYSA-N- Molecular formula
- C9H7F3N2O
- Average molar mass
- 216.16 g/mol
- Monoisotopic mass
- 216.05104734
Names & identifiers
- Preferred name
- 3-Methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
- IUPAC
- 3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one
- English name
- 3-Methyl-7-(trifluoromethyl)pyrrolo-[1,2,a]pyrazin-1-one
- Molecular formula
- C9H7F3N2O
- Molecular weight
- 216.16
Names & synonyms
1025054-82-33-Methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one3-Methyl-7-(trifluoromethyl)pyrrolo(1,2-a)pyrazin-1(2H)-oneRefChem:2810031,2-Dihydro-3-methyl-1-oxo-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one3-Methyl-7-(trifluoromethyl)pyrrolo-[1,2,a]pyrazin-1-one3-Methyl-7-(trifluoromethyl)pyrrolo[1,2,a]pyrazin-1-one3-methyl-7-(trifluoromethyl)-1H,2H-pyrrolo[1,2-a]pyrazin-1-one(5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-oneDTXSID101187927AKOS007930458
Show more names
Pyrrolo[1,2-a]pyrazin-1(2H)-one, 3-methyl-7-(trifluoromethyl)-
PS-6655CS-02107603-Methyl-7-(trifluoromethyl)pyrrolo[1,2,a]pyrazin-1-one, AldrichCPR
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 235.7 · 235.7±40.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 10.88 · 10.88±0.40(Predicted)
- form
- solid
- InChI
- 1S/C9H7F3N2O/c1-5-3-14-4-6(9(10,11)12)2-7(14)8(15)13-5/h2-4H,1H3,(H,13,15)
- InChIKey
- DYHQRCYZMPRXNH-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1c[n]2c([c]([nH]c(c2)C)=O)c1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-P405-P501
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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