4-Methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic Acid - CAS 144059-86-9
Catalog: |
BB009718 |
Product Name: |
4-Methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic Acid |
CAS: |
144059-86-9 |
Synonyms: |
4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid; 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid |
IUPAC Name: | 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid |
Description: | 4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylic Acid can be used to prepare pharmaceutical compositions. |
Molecular Weight: | 287.26 |
Molecular Formula: | C12H8F3NO2S |
Canonical SMILES: | CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C12H8F3NO2S/c1-6-9(11(17)18)19-10(16-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18) |
InChI Key: | DRFFZMPSUPHSJN-UHFFFAOYSA-N |
Boiling Point: | 413.2 °C at 760 mmHg |
Density: | 1.438 g/cm3 |
Appearance: | Powder |
MDL: | MFCD00068105 |
LogP: | 3.83550 |
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 |
CN-113189842-A | Preparation method of color filter | 20201220 |
EP-3189048-A1 | Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived prmt5-inhibitors | 20140903 |
US-10005792-B2 | Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors | 20140903 |
US-2017313713-A1 | Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived prmt5-inhibitors | 20140903 |
WO-2016034671-A1 | Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived prmt5-inhibitors | 20140903 |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.02278416 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.02278416 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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