2-(Trifluoromethyl)-1,3-thiazole-5-carboxylic acid - CAS 1286734-84-6
Catalog: |
BB054743 |
Product Name: |
2-(Trifluoromethyl)-1,3-thiazole-5-carboxylic acid |
CAS: |
1286734-84-6 |
Synonyms: |
2-(Trifluoromethyl)-1,3-thiazole-5-carboxylic acid |
IUPAC Name: | 2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid |
Molecular Weight: | 197.14 |
Molecular Formula: | C5H2F3NO2S |
Canonical SMILES: | C1=C(SC(=N1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C5H2F3NO2S/c6-5(7,8)4-9-1-2(12-4)3(10)11/h1H,(H,10,11) |
InChI Key: | POPWMBOAMPURLZ-UHFFFAOYSA-N |
Boiling Point: | 224.6±40.0 °C at 760 mmHg |
Density: | 1.7±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.97583397 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.97583397 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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