7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid - CAS 438218-14-5
Catalog: |
BB044887 |
Product Name: |
7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
CAS: |
438218-14-5 |
Synonyms: |
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 7-(difluoromethyl)-5-methyl-; 7-(Difluoromethyl)-5-methyl-8-hydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
IUPAC Name: | 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
Description: | 7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CAS# 438218-14-5 ) is a useful research chemical. |
Molecular Weight: | 227.17 |
Molecular Formula: | C9H7F2N3O2 |
Canonical SMILES: | CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)O |
InChI: | InChI=1S/C9H7F2N3O2/c1-4-2-6(7(10)11)14-8(13-4)5(3-12-14)9(15)16/h2-3,7H,1H3,(H,15,16) |
InChI Key: | YYIJNWNMCIXAJD-UHFFFAOYSA-N |
Purity: | ≥ 95 % |
Density: | 1.62±0.1 g/cm3 (Predicted) |
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: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.0506328 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.0506328 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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