1-Methylpyrazole-4-boronic Acid - CAS 847818-55-7
Catalog: |
BB037305 |
Product Name: |
1-Methylpyrazole-4-boronic Acid |
CAS: |
847818-55-7 |
Synonyms: |
(1-methyl-4-pyrazolyl)boronic acid; (1-methylpyrazol-4-yl)boronic acid |
IUPAC Name: | (1-methylpyrazol-4-yl)boronic acid |
Description: | 1-Methylpyrazole-4-boronic Acid (CAS# 847818-55-7) is used in the synthesis of c-Met kinase inhibitor. |
Molecular Weight: | 125.92 |
Molecular Formula: | C4H7N2O2B |
Canonical SMILES: | B(C1=CN(N=C1)C)(O)O |
InChI: | InChI=1S/C4H7BN2O2/c1-7-3-4(2-6-7)5(8)9/h2-3,8-9H,1H3 |
InChI Key: | RYGOBSYXIIUFOR-UHFFFAOYSA-N |
Boiling Point: | 323 ℃ |
Density: | 1.23 g/cm3 |
MDL: | MFCD09414709 |
LogP: | -1.90010 |
GHS Hazard Statement: | H302 (33.33%): 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-112778294-A | 5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor | 20210107 |
CN-113321645-A | 5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor | 20210107 |
WO-2021210970-A1 | Pyridopyrimidinone derivatives and their use as aryl hydrocarbon receptor modulators | 20200417 |
CN-113493437-A | Compound containing benzimidazole structure and preparation method and application thereof | 20200403 |
WO-2021196655-A1 | Compound containing benzimidazole structure, preparation method therefor and application thereof | 20200403 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.0600576 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.0600576 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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