Basic information
- CAS
1299607-44-5- Standard SMILES
COC(=O)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1- InChIKey
HCXZFMSIAASNEU-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO2
- Average molar mass
- 281.23 g/mol
- Monoisotopic mass
- 281.06636305
Names & identifiers
- Preferred name
- Methyl 4-[4-(trifluoromethyl)pyridin-2-yl]benzoate
- IUPAC
- methyl 4-[4-(trifluoromethyl)-2-pyridinyl]benzoate
- English name
- 4-(4-Trifluoromethyl-pyridin-2-yl)-benzoic acid methyl ester
- Molecular formula
- C14H10F3NO2
- Molecular weight
- 281.23
Names & synonyms
1299607-44-5methyl 4-[4-(trifluoromethyl)pyridin-2-yl]benzoateMethyl 4-(4-(trifluoromethyl)pyridin-2-yl)benzoateMFCD183848654-(4-Trifluoromethyl-pyridin-2-yl)-benzoic acid methyl esterSCHEMBL25619655DTXSID501171849AKOS015851611AS-5283DB-402436CS-0321059F317434
Show more names
methyl 4-[4-(trifluoromethyl)-2-pyridyl]benzoateMethyl4-(4-(trifluoromethyl)pyridin-2-yl)benzoateMethyl 4-[4-(trifluoromethyl)-2-pyridinyl]benzoate4-(4-Trifluoromethyl-pyridin-2-yl)-benzoic acidmethyl esterBenzoic acid, 4-[4-(trifluoromethyl)-2-pyridinyl]-, methyl ester
Database identifiers
- CAS
1299607-44-5- PubChem CID
- 56832344
- DTXSID
DTXSID501171849
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 367 · 367.0±42.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- 1.55 · 1.55±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
西安瑞成医药科技有限责任公司18291828687 · [email protected]
西安新诺化学科技有限公司15332490153 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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