Cyclopropylmethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
Basic information
- CAS
175137-31-2- Standard SMILES
O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)F- InChIKey
VAQJVLCEIMTYHZ-UHFFFAOYSA-N- Molecular formula
- C10H8ClF3N2O2
- Average molar mass
- 280.63 g/mol
- Monoisotopic mass
- 280.0226397
Names & identifiers
- Preferred name
- Cyclopropylmethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
- IUPAC
- cyclopropylmethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
- English name
- CYCLOPROPYLMETHYL 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE
- Molecular formula
- C10H8ClF3N2O2
- Molecular weight
- 280.63
Names & synonyms
175137-31-2cyclopropylmethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylateMFCD00068151CYCLOPROPYLMETHYL2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE2-Chloro-5-[(cyclopropylmethoxy)carbonyl]-4-(trifluoromethyl)pyrimidineC10H8ClF3N2O2DTXSID50371570AKOS022181672PS-7233SB57845DB-004494CS-0333854
Show more names
BUTTPARK 99\18-32Cyclopropylmethyl2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate97%Cyclopropylmethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate 97%2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid cyclopropylmethyl ester
Cyclopropylmethyl 2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxylate5-Pyrimidinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, cyclopropylmethyl ester
Database identifiers
- CAS
175137-31-2- PubChem CID
- 2736744
- DTXSID
DTXSID50371570
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 108 · 108-110°C 0,5mm
- Density
- 1.488 · 1.488±0.06 g/cm3(Predicted)
- pka
- -5.79 · -5.79±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P312
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- Hazard Note
- Irritant
- HS Code
- 2933599590 · 2933599590
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
- 2933599590
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P312
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Related reactions
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Compound notes
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