4-chloro-1-methyl-1H-pyrazole-3-carbaldehyde - CAS 175204-81-6
Catalog: |
BB013093 |
Product Name: |
4-chloro-1-methyl-1H-pyrazole-3-carbaldehyde |
CAS: |
175204-81-6 |
Synonyms: |
4-chloro-1-methyl-3-pyrazolecarboxaldehyde; 4-chloro-1-methylpyrazole-3-carbaldehyde |
IUPAC Name: | 4-chloro-1-methylpyrazole-3-carbaldehyde |
Description: | 4-chloro-1-methyl-1H-pyrazole-3-carbaldehyde (CAS# 175204-81-6) is a useful reactant for the preparation of 2-arylidene hydrazinecarbodithioates, a selective inhibitors of cystathionine γ-lyase. |
Molecular Weight: | 144.56 |
Molecular Formula: | C5H5ClN2O |
Canonical SMILES: | CN1C=C(C(=N1)C=O)Cl |
InChI: | InChI=1S/C5H5ClN2O/c1-8-2-4(6)5(3-9)7-8/h2-3H,1H3 |
InChI Key: | MLGDASSMRFJUMZ-UHFFFAOYSA-N |
Boiling Point: | 251.6 °C at 760 mmHg |
Density: | 1.37 g/cm3 |
Appearance: | Off white solid |
MDL: | MFCD00103234 |
LogP: | 0.88600 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3541792-A1 | Triazole furan compounds as agonists of the apj receptor | 20161116 |
US-2019275008-A1 | Triazole furan compounds as agonists of the apj receptor | 20161116 |
WO-2018097944-A1 | Triazole furan compounds as agonists of the apj receptor | 20161116 |
EP-3541792-B1 | Triazole furan compounds as agonists of the apj receptor | 20161116 |
US-10736883-B2 | Triazole furan compounds as agonists of the APJ receptor | 20161116 |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.0090405 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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