3-Chloro-4-trifluoromethylpyridazine - CAS 749258-96-6
Catalog: |
BB062465 |
Product Name: |
3-Chloro-4-trifluoromethylpyridazine |
CAS: |
749258-96-6 |
Synonyms: |
3-Chloro-4-(trifluoromethyl)pyridazine |
IUPAC Name: | 3-chloro-4-(trifluoromethyl)pyridazine |
Description: | 3-Chloro-4-trifluoromethylpyridazine can be used as reactant/reagent in preparation of substituted pyridazinyl-and pyrimidinyl-quinolin-4-ylamine analogs for use in capsaicin VR1 receptor binding assays. |
Molecular Weight: | 182.53 |
Molecular Formula: | C5H2ClF3N2 |
Canonical SMILES: | C1=CN=NC(=C1C(F)(F)F)Cl |
InChI: | InChI=1S/C5H2ClF3N2/c6-4-3(5(7,8)9)1-2-10-11-4/h1-2H |
InChI Key: | JHLNYYAILLQDCR-UHFFFAOYSA-N |
References: | Caldwell, T. PCT Int. Appl., WO 2006081388 A2 20060803 (2006). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.9858603 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.9858603 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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