Ethyl 2-Chloro-4-(trifluoromethyl)thiazole-5-carboxylate - CAS 72850-52-3
Catalog: |
BB034708 |
Product Name: |
Ethyl 2-Chloro-4-(trifluoromethyl)thiazole-5-carboxylate |
CAS: |
72850-52-3 |
Synonyms: |
2-chloro-4-(trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester; ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
IUPAC Name: | ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
Description: | Ethyl 2-Chloro-4-(trifluoromethyl)thiazole-5-carboxylate (CAS# 72850-52-3) is a useful research chemical. |
Molecular Weight: | 259.63 |
Molecular Formula: | C7H5ClF3NO2S |
Canonical SMILES: | CCOC(=O)C1=C(N=C(S1)Cl)C(F)(F)F |
InChI: | InChI=1S/C7H5ClF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3 |
InChI Key: | RLZUPBSTNNZDDH-UHFFFAOYSA-N |
Boiling Point: | 308.7 °C at 760 mmHg |
Density: | 1.509 g/cm3 |
MDL: | MFCD02956778 |
LogP: | 2.99200 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020048242-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180809 |
US-11053235-B2 | Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases | 20180809 |
WO-2020001448-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180626 |
AU-2019296117-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of HBV infection or of HBV-induced diseases | 20180626 |
CA-3099605-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180626 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.9681618 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.9681618 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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