Basic information
- CAS
887409-11-2- Standard SMILES
CCOC(=O)c1cnc(C(F)(F)F)nc1C1CC1- InChIKey
LMPVTQRVSPFCJM-UHFFFAOYSA-N- Molecular formula
- C11H11F3N2O2
- Average molar mass
- 260.21 g/mol
- Monoisotopic mass
- 260.07726208
Names & identifiers
- Preferred name
- 4-Cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylate
- English name
- Ethyl-2-trifluoromethyl-4-cyclopropyl-5-pyrimidine carboxylate
- Molecular formula
- C11H11F3N2O2
- Molecular weight
- 260.21
Names & synonyms
887409-11-2ethyl 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylate4-Cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl esterMFCD07367384ETHYL-2-TRIFLUOROMETHYL-4-CYCLOPROPYL-5-PYRIMIDINE CARBOXYLATEAKOS005255191SB58941AS-43359CS-03220634-Cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylicacidethylester5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(trifluoromethyl)-, ethyl ester
Database identifiers
- CAS
887409-11-2- PubChem CID
- 22831749
- EC Number
- 807-483-4
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 318
Physicochemical properties
- form
- solid
- InChI
- 1S/C11H11F3N2O2/c1-2-18-9(17)7-5-15-10(11(12,13)14)16-8(7)6-3-4-6/h5-6H,2-4H2,1H3
- InChIKey
- LMPVTQRVSPFCJM-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C1=NC(C2CC2)=C(C(OCC)=O)C=N1
- UNSPSC Code
- 12352108 · 12352108
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933599590 · 2933599590
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.
Safety data
- wgk
- WGK 3
- hs_code
- 2933599590
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
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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