2-Trifluoromethylpyrimidine - CAS 116470-67-8
Catalog: |
BB046709 |
Product Name: |
2-Trifluoromethylpyrimidine |
CAS: |
116470-67-8 |
Synonyms: |
trifluoromethylpyrimidine; (trifluoromethyl)pyrimidine; 2-Trifluoromethyl pyrimidine; Pyrimidine, 2-(trifluoromethyl)- |
IUPAC Name: | 2-(trifluoromethyl)pyrimidine |
Description: | 2-Trifluoromethylpyrimidine (CAS# 116470-67-8 ) is a useful research chemical. |
Molecular Weight: | 148.09 |
Molecular Formula: | C5H3F3N2 |
Canonical SMILES: | C1=CN=C(N=C1)C(F)(F)F |
InChI: | InChI=1S/C5H3F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H |
InChI Key: | BQDJLAWUTBCDHK-UHFFFAOYSA-N |
Boiling Point: | 69.0±40.0 °C (Predicted) |
Purity: | 97 % |
Density: | 1.353±0.06 g/cm3 (Predicted) |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.02483259 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.02483259 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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