4-Bromo-1-ethyl-1H-pyrazole-5-carboxylic acid - CAS 514800-97-6
Catalog: |
BB042586 |
Product Name: |
4-Bromo-1-ethyl-1H-pyrazole-5-carboxylic acid |
CAS: |
514800-97-6 |
Synonyms: |
4-Bromo-2-ethyl-2H-pyrazole-3-carboxylic acid; 4-bromo-1-ethylpyrazole-5-carboxylic acid; Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl- |
IUPAC Name: | 4-bromo-2-ethylpyrazole-3-carboxylic acid |
Description: | 4-Bromo-1-ethyl-1H-pyrazole-5-carboxylic acid (CAS# 514800-97-6 ) is a useful research chemical. |
Molecular Weight: | 219.04 |
Molecular Formula: | C6H7BrN2O2 |
Canonical SMILES: | CCN1C(=C(C=N1)Br)C(=O)O |
InChI: | InChI=1S/C6H7BrN2O2/c1-2-9-5(6(10)11)4(7)3-8-9/h3H,2H2,1H3,(H,10,11) |
InChI Key: | QBZXHFRMFOYDSR-UHFFFAOYSA-N |
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: | 217.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.96909 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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