3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic Acid - CAS 80194-68-9
Catalog: |
BB036472 |
Product Name: |
3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic Acid |
CAS: |
80194-68-9 |
Synonyms: |
3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid; 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid |
IUPAC Name: | 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid |
Description: | 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic Acid (CAS# 80194-68-9) is a useful research chemical. |
Molecular Weight: | 225.55 |
Molecular Formula: | C7H3ClF3NO2 |
Canonical SMILES: | C1=C(C=NC(=C1Cl)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14) |
InChI Key: | HXRMCZBDTDCCOP-UHFFFAOYSA-N |
Boiling Point: | 272.9 °C at 760 mmHg |
Density: | 1.603 g/cm3 |
MDL: | MFCD00277482 |
LogP: | 2.45200 |
GHS Hazard Statement: | H302+H312+H332 (97.85%): 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 |
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Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.9804405 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.9804405 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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