1-Benzylpyrazole-4-boronic Acid - CAS 852362-22-2
Catalog: |
BB037548 |
Product Name: |
1-Benzylpyrazole-4-boronic Acid |
CAS: |
852362-22-2 |
Synonyms: |
[1-(phenylmethyl)-4-pyrazolyl]boronic acid; (1-benzylpyrazol-4-yl)boronic acid |
IUPAC Name: | (1-benzylpyrazol-4-yl)boronic acid |
Description: | 1-Benzylpyrazole-4-boronic Acid (CAS# 852362-22-2) is a useful research chemical. |
Molecular Weight: | 202.02 |
Molecular Formula: | C10H11N2O2B |
Canonical SMILES: | B(C1=CN(N=C1)CC2=CC=CC=C2)(O)O |
InChI: | InChI=1S/C10H11BN2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8,14-15H,7H2 |
InChI Key: | JXNAIAOHYPDQQC-UHFFFAOYSA-N |
Boiling Point: | 438.4 °C at 760 mmHg |
Melting Point: | 76-81 °C |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.17 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD04038760 |
LogP: | -0.38880 |
GHS Hazard Statement: | H302 (100%): 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 |
WO-2019169306-A1 | Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress | 20180301 |
AU-2019226571-A1 | Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress | 20180301 |
EP-3759072-A1 | Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress | 20180301 |
US-2021040091-A1 | Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress | 20180301 |
JP-2021518856-A | Compounds, compositions, and methods for controlling toxic endoplasmic reticulum stress | 20180301 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0913578 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0913578 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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