4-Chloro-3-fluorophenylboronic acid - CAS 137504-86-0
Catalog: |
BB008582 |
Product Name: |
4-Chloro-3-fluorophenylboronic acid |
CAS: |
137504-86-0 |
Synonyms: |
(4-chloro-3-fluorophenyl)boronic acid; (4-chloro-3-fluorophenyl)boronic acid |
IUPAC Name: | (4-chloro-3-fluorophenyl)boronic acid |
Description: | 4-Chloro-3-fluorophenylboronic acid (CAS# 137504-86-0) is a useful synthetic compound. |
Molecular Weight: | 174.37 |
Molecular Formula: | C6H5BClFO2 |
Canonical SMILES: | B(C1=CC(=C(C=C1)Cl)F)(O)O |
InChI: | InChI=1S/C6H5BClFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H |
InChI Key: | CMJQIHGBUKZEHP-UHFFFAOYSA-N |
Boiling Point: | 302.6 °C at 760 mmHg |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.41 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD01319010 |
LogP: | 0.15890 |
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-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 20200529 |
WO-2021203025-A1 | 1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
CN-111253210-A | Preparation method of 4 '-alkyl-2, 4,3' -trifluoro-terphenyl liquid crystal monomer | 20200305 |
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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