1-Methyl-1H-pyrazole-3,4-dicarboxylic acid - CAS 10505-21-2
Catalog: |
BB048511 |
Product Name: |
1-Methyl-1H-pyrazole-3,4-dicarboxylic acid |
CAS: |
10505-21-2 |
Synonyms: |
1H-Pyrazole-3,4-dicarboxylic acid, 1-methyl- |
IUPAC Name: | 1-methylpyrazole-3,4-dicarboxylic acid |
Description: | 1-Methyl-1H-pyrazole-3,4-dicarboxylic acid (CAS# 10505-21-2 ) is a useful research chemical. |
Molecular Weight: | 170.12 |
Molecular Formula: | C6H6N2O4 |
Canonical SMILES: | CN1C=C(C(=N1)C(=O)O)C(=O)O |
InChI: | InChI=1S/C6H6N2O4/c1-8-2-3(5(9)10)4(7-8)6(11)12/h2H,1H3,(H,9,10)(H,11,12) |
InChI Key: | YWCVRVKQZHUWKX-UHFFFAOYSA-N |
Boiling Point: | 439.6±30.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.6±0.1 g/cm3 |
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: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03275668 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 92.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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