(3-Chloro-5-cyanophenyl)boronic acid
Properties
- Molecular formula
- C7H5BClNO2
- Molar mass
- 181.38 g/mol
- Exact mass
- 181.0102 Da
- logP
- -0.11Crippen estimate
- Polar surface area
- 64.3 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin20% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled20% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 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
915763-60-9SMILES
B(C1=CC(=CC(=C1)Cl)C#N)(O)OInChIKey
DYVJQLYYHMZIIU-UHFFFAOYSA-NInChI
InChI=1S/C7H5BClNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3,11-12HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with (3-Chloro-5-cyanophenyl)boronic acid
Similar compounds
3,5-Dichlorobenzonitrile6575-00-461 % similar
3,5-Dichlorophenylboronic acid67492-50-661 % similar
B-(3-Cyano-5-fluorophenyl)boronic acid304858-67-159 % similar
3-Cyanophenylboronic acid150255-96-258 % similar
3-Chloro-5-hydroxybenzonitrile473923-97-655 % similar
4-Cyanophenylboronic acid126747-14-650 % similar
3-Bromo-5-chlorobenzonitrile304854-55-550 % similar
3-Chloro-5-fluorobenzonitrile327056-73-550 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.