2-Chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid - CAS 590371-81-6
Catalog: |
BB030245 |
Product Name: |
2-Chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid |
CAS: |
590371-81-6 |
Synonyms: |
2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid |
IUPAC Name: | 2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid |
Description: | 2-Chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid (CAS# 590371-81-6) is a useful research chemical. |
Molecular Weight: | 225.55 |
Molecular Formula: | C7H3ClF3NO2 |
Canonical SMILES: | C1=CN=C(C(=C1C(F)(F)F)C(=O)O)Cl |
InChI: | InChI=1S/C7H3ClF3NO2/c8-5-4(6(13)14)3(1-2-12-5)7(9,10)11/h1-2H,(H,13,14) |
InChI Key: | FZIJHEOXLKCIRZ-UHFFFAOYSA-N |
Boiling Point: | 299.501 °C at 760 mmHg |
Melting Point: | 158-159 °C |
Purity: | 95 % |
Density: | 1.604 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD08458125 |
LogP: | 2.45200 |
GHS Hazard Statement: | H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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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Pyridines
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