2-Chloro-4-fluorophenylboronic acid - CAS 313545-72-1
Catalog: |
BB020893 |
Product Name: |
2-Chloro-4-fluorophenylboronic acid |
CAS: |
313545-72-1 |
Synonyms: |
(2-chloro-4-fluorophenyl)boronic acid; (2-chloro-4-fluorophenyl)boronic acid |
IUPAC Name: | (2-chloro-4-fluorophenyl)boronic acid |
Description: | 2-Chloro-4-fluorophenylboronic acid (CAS# 313545-72-1) is a useful research chemical. |
Molecular Weight: | 174.37 |
Molecular Formula: | C6H5BClFO2 |
Canonical SMILES: | B(C1=C(C=C(C=C1)F)Cl)(O)O |
InChI: | InChI=1S/C6H5BClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,10-11H |
InChI Key: | XOFNMNLYGPKKOV-UHFFFAOYSA-N |
Boiling Point: | 290.9 °C at 760 mmHg |
Melting Point: | 220-223 °C |
Flash Point: | Not applicable |
Purity: | 98 % |
Density: | 1.41 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD02684295 |
LogP: | 0.15890 |
GHS Hazard Statement: | H302 (25%): 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-2021190615-A1 | Compounds as casein kinase inhibitors | 20200327 |
WO-2021163519-A1 | Substituted 5,6-diphenyl-3(2h)-pyridazinones for use as fungicides | 20200214 |
US-2021094971-A1 | Heterocyclic compounds | 20190909 |
WO-2021048036-A1 | 4,4a,5,7,8,8a-hexapyrido[4,3-b][1,4]oxazin-3-one compounds as magl inhibitors | 20190909 |
WO-2021023813-A1 | 5-heteroaryl-pyridin-2-amine confounds as neuropeptide ff receptor antagonists | 20190806 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0055154 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0055154 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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