4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine

HCID 135410007CAS 158715-14-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=c1cc(C(F)(F)F)nc(-c2ccccc2)[nH]1
InChIKey
SMUCGWAIODOUCG-UHFFFAOYSA-N
Molecular formula
C11H7F3N2O
Average molar mass
240.18 g/mol
Monoisotopic mass
240.05104734

Names & identifiers

Preferred name
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
IUPAC
2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
English name
2-phenyl-6-trifluoromethyl-pyrimidin-4-ol
Molecular formula
C11H7F3N2O
Molecular weight
240.18

Names & synonyms

158715-14-14-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidineDTXSID40354751RefChem:293179DTXCID103058112-Phenyl-6-(trifluoromethyl)pyrimidin-4(1H)-one2-Phenyl-6-trifluoromethyl-pyrimidin-4-ol2-phenyl-6-(trifluoromethyl)pyrimidin-4-olMFCD002695712-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one2-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone2-phenyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
Show more names
4(3H)-Pyrimidinone, 2-phenyl-6-(trifluoromethyl)-2-phenyl-6-(trifluoromethyl)-1H-pyrimidin-4-one2-phenyl-6-(trifluoromethyl)-3H-pyrimidin-4-oneCBDivE_016297MLS000106035SCHEMBL602293SCHEMBL8678449CHEMBL1544232

Database identifiers

CAS
158715-14-1
PubChem CID
135410007
DTXSID
DTXSID40354751
ChEMBL
CHEMBL1544232
Nikkaji
J749.681H

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
41.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
17

Physicochemical properties

Boiling point
265.3 · 265.3±50.0 °C(Predicted)
Density
1.38 · 1.38±0.1 g/cm3(Predicted)
pka
5.84 · 5.84±0.50(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

hs_code
2933599590
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P301+P312-P261

Chemistry & industry

Suppliers5 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
天津奥立非医药技术有限公司18202662021 18522876413 · [email protected]
厦门康奥克科技有限公司0086-592-7270133 612 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]

Related reactions

9 records
New reaction record

Linked notes

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