2-Chloro-5-(trifluoromethyl)pyrimidine - CAS 69034-12-4
Catalog: |
BB033677 |
Product Name: |
2-Chloro-5-(trifluoromethyl)pyrimidine |
CAS: |
69034-12-4 |
Synonyms: |
2-chloro-5-(trifluoromethyl)pyrimidine |
IUPAC Name: | 2-chloro-5-(trifluoromethyl)pyrimidine |
Description: | 2-Chloro-5-(trifluoromethyl)pyrimidine (CAS# 69034-12-4) is a useful research chemical. |
Molecular Weight: | 182.53 |
Molecular Formula: | C5H2ClF3N2 |
Canonical SMILES: | C1=C(C=NC(=N1)Cl)C(F)(F)F |
InChI: | InChI=1S/C5H2ClF3N2/c6-4-10-1-3(2-11-4)5(7,8)9/h1-2H |
InChI Key: | TYCYTQLXAIDJNF-UHFFFAOYSA-N |
Boiling Point: | 222.097 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.504 g/cm3 |
MDL: | MFCD09753482 |
LogP: | 2.14880 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113512004-A | Synthetic method of 2-fluoro-5-trifluoromethylpyrimidine | 20210722 |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
CN-111253370-A | N-polysubstituted pyridine-2-aminopyrimidine derivatives and application thereof | 20200324 |
CN-111253370-B | N-polysubstituted pyridine-2-aminopyrimidine derivatives and application thereof | 20200324 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.9858603 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.9858603 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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