4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine

HCID 16747837CAS 659729-09-6
Substructure searchFind similar structures

Basic information

Standard SMILES
FC(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1
InChIKey
RYYMGPDAXCLXSL-UHFFFAOYSA-N
Molecular formula
C11H6ClF3N2
Average molar mass
258.62 g/mol
Monoisotopic mass
258.01716053

Names & identifiers

Preferred name
4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine
IUPAC
4-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidine
English name
4-chloro-6-(4'-(trifluoromethyl)phenyl)pyrimidine
Molecular formula
C11H6ClF3N2
Molecular weight
258.63

Names & synonyms

659729-09-64-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine4-chloro-6-(4'-(trifluoromethyl)phenyl)pyrimidine4-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidineMFCD09839523Pyrimidine, 4-chloro-6-[4-(trifluoromethyl)phenyl]-4-chloro-6-(4-(trifluoromethyl)-phenyl)pyrimidine4-chloro-6-[4-(trifluoromethyl)-phenyl]pyrimidine4-Chloro-6-(4-trifluoromethyl-phenyl)-pyrimidineSCHEMBL605004DTXSID80587783AKOS014987258
Show more names
4-Chloro-6-(4-(trifluoromethyl)
SB60730AS-53542DB-358127CS-01869914-chloro-6-(4-trifluoromethylphenyl)pyrimidineP166464-Chloro-6-(4'-trifluoromethylphenyl)pyrimidine4-chloro-6-(4-trifluoromethyl-phenyl)pyrimidine

Database identifiers

CAS
659729-09-6
PubChem CID
16747837
DTXSID
DTXSID80587783

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
17

Physicochemical properties

Boiling point
318.7 · 318.7±37.0 °C(Predicted)
Density
1.385 · 1.385±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
-1.61 · -1.61±0.18(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers22 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Aladdin Scientific[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]

Related reactions

86 records
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Linked notes

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