4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidine - CAS 5993-98-6
Catalog: |
BB030558 |
Product Name: |
4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidine |
CAS: |
5993-98-6 |
Synonyms: |
4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine; 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine |
IUPAC Name: | 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine |
Description: | 4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidine (CAS# 5993-98-6) is a useful research chemical. |
Molecular Weight: | 196.56 |
Molecular Formula: | C6H4ClF3N2 |
Canonical SMILES: | CC1=NC(=CC(=N1)Cl)C(F)(F)F |
InChI: | InChI=1S/C6H4ClF3N2/c1-3-11-4(6(8,9)10)2-5(7)12-3/h2H,1H3 |
InChI Key: | JYLBKMNTQSEPJM-UHFFFAOYSA-N |
Boiling Point: | 171.2 °C at 760 mmHg |
Density: | 1.428 g/cm3 |
MDL: | MFCD03265399 |
LogP: | 2.45720 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020352942-A1 | Dosage forms and regimens for amino acid compounds | 20190408 |
WO-2020210404-A1 | Dosage forms and regimens for amino acid compounds | 20190408 |
WO-2020084492-A1 | Inhibitors of human immunodeficiency virus replication | 20181024 |
TW-202031261-A | Inhibitors of human immunodeficiency virus replication | 20181024 |
US-2020360384-A1 | Inhibitors of human immunodeficiency virus replication | 20181024 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0015103 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0015103 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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