2,4-Dichloro-6-(trifluoromethyl)pyrimidine
Basic information
- CAS
16097-64-6- Standard SMILES
FC(F)(F)c1cc(Cl)nc(Cl)n1- InChIKey
ZTNFYAJHLPMNSN-UHFFFAOYSA-N- Molecular formula
- C5HCl2F3N2
- Average molar mass
- 216.97 g/mol
- Monoisotopic mass
- 215.9468879
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-(trifluoromethyl)pyrimidine
- IUPAC
- 2,4-dichloro-6-(trifluoromethyl)pyrimidine
- English name
- 2,4-dichloro-6-(trifluoromethyl)pyrimidine
- Molecular formula
- C5HCl2F3N2
- Molecular weight
- 216.98
Names & synonyms
2,4-dichloro-6-(trifluoromethyl)pyrimidine16097-64-6pyrimidine, 2,4-dichloro-6-(trifluoromethyl)-DTXSID40319027RefChem:82348DTXCID50270150802-203-7InChI=1/C5HCl2F3N2/c6-3-1-2(5(8,9)10)11-4(7)12-3/h12,4-Dichloro-6-trifluoromethylpyrimidineMFCD09910264NSC3385932,4-dichloro-6-trifluoromethyl-pyrimidine
Show more names
4-Dichloro-6-(trifluoromethyl)pyrimidine2,4-Dichloro-6-(trifluoromethyl)-1,3-diazine2,4-Dichloro-6-(trifluoromethyl)pyrimidine 98%2,4-dichloro-6-(trifluoromethyl)pyrimidine ISO 9001：2015 REACH
2,4-dichloro-6-(trifluoromethyl)-pyrimidineSCHEMBL628056SCHEMBL35977991AKOS005063578AB55075CS-W004717NSC-338593AC-27632
Database identifiers
- CAS
16097-64-6- PubChem CID
- 334203
- DTXSID
DTXSID40319027- EC Number
- 802-203-7
- Nikkaji
- J2.305.064A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- -48 · -48--46 °C
- Boiling point
- 37 · 37-38 °C(Press: 0.7 Torr)
- Density
- 1.589 · 1.589
- refractive index
- 1.464 · 1.4640
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -7.56 · -7.56±0.32(Predicted)
- form
- Liquid
- color
- Pale yellow
- InChI
- InChI=1S/C5HCl2F3N2/c6-3-1-2(5(8,9)10)11-4(7)12-3/h1H
- InChIKey
- ZTNFYAJHLPMNSN-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(C(F)(F)F)=CC(Cl)=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 29335990 · 29335990
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29335990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2,4-Dichloro-6-trifluoromethylpyrimidine is a useful synthetic intermediate. It can be used to synthesize 2,4-diaminopyrimidines derivatives that show antiplasmodial activities.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
9 records
Compound notes
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