5-Chloro-1,3-dimethylpyrazole-4-carbaldehyde - CAS 27006-76-4
Catalog: |
BB019437 |
Product Name: |
5-Chloro-1,3-dimethylpyrazole-4-carbaldehyde |
CAS: |
27006-76-4 |
Synonyms: |
5-chloro-1,3-dimethyl-4-pyrazolecarboxaldehyde; 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde |
IUPAC Name: | 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde |
Description: | 5-Chloro-1,3-dimethylpyrazole-4-carbaldehyde (CAS# 27006-76-4) is a useful research chemical. |
Molecular Weight: | 158.59 |
Molecular Formula: | C6H7ClN2O |
Canonical SMILES: | CC1=NN(C(=C1C=O)Cl)C |
InChI: | InChI=1S/C6H7ClN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3 |
InChI Key: | SZRSMNYUEXXEBL-UHFFFAOYSA-N |
Boiling Point: | 255.7 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
Appearance: | Light purple solid |
MDL: | MFCD00052538 |
LogP: | 1.19440 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354585-A | Synthesis of novel EP4 antagonists and their use in cancer and inflammation | 20200304 |
WO-2021175283-A1 | Synthesis of novel ep4 antagonist and use in cancers and inflammations | 20200304 |
BR-112020013788-A2 | compound, pharmaceutical composition, use of a compound, and method of treatment. | 20180110 |
US-2020369672-A1 | 2,4,6,7-tetrahydro-pyrazolo[4,3-d]pyrimidin-5-one derivatives and related compounds as c5a receptor modulators for treating vasculitis and inflammatory diseases | 20180110 |
RU-2656603-C1 | Substituted 2-methyliden-5-(phenylamino)-2,3-dihydrotiophen-3-one for treatment of leukemias with translocations of mll-gene and other oncological diseases | 20170427 |
PMID | Publication Date | Title | Journal |
22219966 | 20111101 | 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde | Acta crystallographica. Section E, Structure reports online |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0246905 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0246905 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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