3-Chloro-4-ethoxyphenylboronic acid

C₈H₁₀BClO₃CAS 279261-81-3200.43 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₈H₁₀BClO₃
Molar mass: 200.43 g/mol
Exact mass: 200.0412 Da
logP: 0.42Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

279261-81-3

SMILES

CCOc1ccc(B(O)O)cc1Cl

InChIKey

QZMQZKMQXURQNC-UHFFFAOYSA-N

InChI

InChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Boronic acid, B-(3-chloro-4-ethoxyphenyl)-
Boronic acid, (3-chloro-4-ethoxyphenyl)-
B-(3-Chloro-4-ethoxyphenyl)boronic acid

Work with 3-Chloro-4-ethoxyphenylboronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloro-4-methoxybenzeneboronic acid175883-60-064 % similar 4-Ethoxy-3-fluorophenylboronic acid279263-10-463 % similar 4-Benzyloxy-3-chlorophenylboronic acid845551-44-263 % similar 3-Ethoxy-4-fluorobenzeneboronic acid900174-65-459 % similar 2-Chloro-1,4-diethoxybenzene52196-74-458 % similar 3-Ethoxybenzeneboronic acid90555-66-155 % similar 1-Chloro-2-ethoxybenzene614-72-254 % similar (6-Ethoxynaphthalen-2-yl)boronic acid352525-98-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)313545-44-7 5-Chloro-2-ethoxyphenylboronic acid352534-86-2

Elsewhere

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