Ethyl 4-Chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate - CAS 720-01-4
Catalog: |
BB034518 |
Product Name: |
Ethyl 4-Chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate |
CAS: |
720-01-4 |
Synonyms: |
4-chloro-2-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester; ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate |
IUPAC Name: | ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate |
Description: | Ethyl 4-Chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate (CAS# 720-01-4) is a useful research chemical. |
Molecular Weight: | 254.59 |
Molecular Formula: | C8H6ClF3N2O2 |
Canonical SMILES: | CCOC(=O)C1=CN=C(N=C1Cl)C(F)(F)F |
InChI: | InChI=1S/C8H6ClF3N2O2/c1-2-16-6(15)4-3-13-7(8(10,11)12)14-5(4)9/h3H,2H2,1H3 |
InChI Key: | DSULCDCBENGHAX-UHFFFAOYSA-N |
Boiling Point: | 95 °C |
Density: | 1.449 g/cm3 |
Appearance: | Light yellow solid |
MDL: | MFCD00173897 |
LogP: | 2.32550 |
GHS Hazard Statement: | H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019166822-A1 | Compounds that modulates ampa receptor function | 20180301 |
AU-2019226718-A1 | Compounds that modulates ampa receptor function | 20180301 |
CN-112004811-A | Compounds that modulate AMPA receptor function | 20180301 |
KR-20200128032-A | Compounds that modulate AMPA receptor function | 20180301 |
EP-3759092-A1 | Compounds that modulates ampa receptor function | 20180301 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.0069896 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.0069896 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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