1,3,5-Trimethylpyrazole-4-carboxaldehyde - CAS 2644-93-1
Catalog: |
BB019283 |
Product Name: |
1,3,5-Trimethylpyrazole-4-carboxaldehyde |
CAS: |
2644-93-1 |
Synonyms: |
1,3,5-trimethyl-4-pyrazolecarboxaldehyde; 1,3,5-trimethylpyrazole-4-carbaldehyde |
IUPAC Name: | 1,3,5-trimethylpyrazole-4-carbaldehyde |
Description: | 1,3,5-Trimethylpyrazole-4-carboxaldehyde (CAS# 2644-93-1) is a useful research chemical. |
Molecular Weight: | 138.17 |
Molecular Formula: | C7H10N2O |
Canonical SMILES: | CC1=C(C(=NN1C)C)C=O |
InChI: | InChI=1S/C7H10N2O/c1-5-7(4-10)6(2)9(3)8-5/h4H,1-3H3 |
InChI Key: | HMTUBXVXHHITGO-UHFFFAOYSA-N |
Boiling Point: | 132 °C / 12 mmHg |
Density: | 1.09 g/cm3 |
Appearance: | Light yellow powder |
MDL: | MFCD00159623 |
LogP: | 0.84940 |
GHS Hazard Statement: | H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111233850-A | Naphthol derivative containing benzothiazole amino and heteroaryl, preparation method and application thereof | 20200121 |
US-10851073-B2 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
US-2020299246-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
WO-2020186199-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
TW-202100515-A | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.079312947 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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