1-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid - CAS 1174305-81-7
Catalog: |
BB051784 |
Product Name: |
1-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid |
CAS: |
1174305-81-7 |
Synonyms: |
1H-Pyrazole-4-carboxylic acid, 1-(difluoromethyl)-; 1-(2,2-Difluoromethyl)-1H-pyrazole-4-carboxylic acid |
IUPAC Name: | 1-(difluoromethyl)pyrazole-4-carboxylic acid |
Molecular Weight: | 162.09 |
Molecular Formula: | C5H4F2N2O2 |
Canonical SMILES: | C1=C(C=NN1C(F)F)C(=O)O |
InChI: | InChI=1S/C5H4F2N2O2/c6-5(7)9-2-3(1-8-9)4(10)11/h1-2,5H,(H,10,11) |
InChI Key: | IULWOQYXUCMXJG-UHFFFAOYSA-N |
Purity: | >95% |
Appearance: | White Powder |
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: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.0240837 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.0240837 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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