Dimethyl 1H-pyrazole-4,5-dicarboxylate - CAS 33090-46-9
Catalog: |
BB052119 |
Product Name: |
Dimethyl 1H-pyrazole-4,5-dicarboxylate |
CAS: |
33090-46-9 |
Synonyms: |
1H-Pyrazole-3,4-dicarboxylic acid dimethyl ester; methyl 3-(methoxycarbonyl)pyrazole-4-carboxylate; 4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate |
IUPAC Name: | dimethyl 1H-pyrazole-4,5-dicarboxylate |
Molecular Weight: | 184.15 |
Molecular Formula: | C7H8N2O4 |
Canonical SMILES: | COC(=O)C1=C(NN=C1)C(=O)OC |
InChI: | InChI=1S/C7H8N2O4/c1-12-6(10)4-3-8-9-5(4)7(11)13-2/h3H,1-2H3,(H,8,9) |
InChI Key: | MBPCNHQXWVYNJQ-UHFFFAOYSA-N |
Boiling Point: | 304.0±22.0 °C at 760 mmHg |
Purity: | 96% |
Density: | 1.3±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: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.04840674 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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