1-(4-Trifluoromethylpyrimidin-2-yl)piperazine - CAS 179756-91-3
Catalog: |
BB043244 |
Product Name: |
1-(4-Trifluoromethylpyrimidin-2-yl)piperazine |
CAS: |
179756-91-3 |
Synonyms: |
2-PIPERAZIN-YL-4-(TRIFLUOROMETHYL)PYRIMIDINE; 1-[4-(Trifluoromethyl)pyrimid-2-yl]piperazine ,97%; 1-(4-Trifluoromethylpyrimidin-2-yl)piperazine; 2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine |
IUPAC Name: | 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine |
Description: | 1-(4-Trifluoromethylpyrimidin-2-yl)piperazine (CAS# 179756-91-3 ) is a useful research chemical. |
Molecular Weight: | 232.21 |
Molecular Formula: | C9H11F3N4 |
Canonical SMILES: | C1CN(CCN1)C2=NC=CC(=N2)C(F)(F)F |
InChI: | InChI=1S/C9H11F3N4/c10-9(11,12)7-1-2-14-8(15-7)16-5-3-13-4-6-16/h1-2,13H,3-6H2 |
InChI Key: | WBJVPAABGFBMJQ-UHFFFAOYSA-N |
Boiling Point: | 331.3 °C at 760 mmHg |
Melting Point: | 50-52 °C |
Purity: | 98 % |
Density: | 1.306 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.09358085 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.09358085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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