2-Chloro-5-cyanophenylboronic Acid - CAS 936249-33-1
Catalog: |
BB040995 |
Product Name: |
2-Chloro-5-cyanophenylboronic Acid |
CAS: |
936249-33-1 |
Synonyms: |
(2-chloro-5-cyanophenyl)boronic acid; (2-chloro-5-cyanophenyl)boronic acid |
IUPAC Name: | (2-chloro-5-cyanophenyl)boronic acid |
Description: | 2-Chloro-5-cyanophenylboronic Acid (CAS# 936249-33-1) is a useful research chemical. |
Molecular Weight: | 181.38 |
Molecular Formula: | C7H5ClNO2B |
Canonical SMILES: | B(C1=C(C=CC(=C1)C#N)Cl)(O)O |
InChI: | InChI=1S/C7H5BClNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3,11-12H |
InChI Key: | YNZXUVCJPQNYHR-UHFFFAOYSA-N |
Boiling Point: | 370.8 °C at 760 mmHg |
Density: | 1.41 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD06656271 |
LogP: | -0.10852 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112789272-A | Novel compound and organic light emitting device comprising same | 20190228 |
KR-102288990-B1 | Novel compound and organic light emitting device comprising the same | 20190228 |
KR-20200105388-A | Novel compound and organic light emitting device comprising the same | 20190228 |
WO-2020175779-A1 | Novel compound and organic light emitting device using same | 20190228 |
US-2019322658-A1 | Antiproliferation compounds and uses thereof | 20180424 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0101863 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0101863 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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