4-CHLORO-2-METHYLPHENYLBORONIC ACID
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4-CHLORO-2-METHYLPHENYLBORONIC ACID
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CAS No:
209919-30-2
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Formula:
C7H8BClO2
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Chemical Name:
4-CHLORO-2-METHYLPHENYLBORONIC ACID
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Synonyms:
AKOS BRN-0229;4-CHLORO-O-TOLUENEBORONIC ACID;4-CHLORO-2-METHYLBENZENEBORONIC ACID;4-CHLORO-2-METHYLPHENYLBORONIC ACID;4-Chloro-2-Methylphenylboronic;4-chloro-o-tolylboronic acid;4-Chloro-2-methylphenylboronic acid ,98%;4-Chloro-2-Methylphenylboronic Acid (contains varying aMounts of Anhydride)
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CAS No:
Characteristics
40.5
0.32820
1.3±0.1 g/cm3
193-195°C
314.9°C at 760 mmHg
144.2±30.7 °C
1.549
0.000192mmHg at 25°C
Safety Information
IRRITANT
36/37/38-20/21/22
26-36/37/39-36
Xi,Xn
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-CHLORO-2-METHYLPHENYLBORONIC ACID Use and Manufacturing
13.3 ml (0.1 mol) of 2-bromo-5-chlorotoluene was dissolved in 200 ml of anhydrous THF, and 27.7 ml (0.12 mol) of triisopropyl borate was added thereto. After cooling the reaction mixture to-78°C over a dry ice-acetone bath, 48 ml (0.12 mol) of 2.5 M n-BuLi (in hexane) was added dropwise thereto for 1 hour, the dry ice-acetone bath was removed, and 150 ml of 3 N HCI was added thereto. The resulting mixture was stirred for 1 hour, and the separated water layer was extracted twice with 100 ml portions of ethyl acetate. The organic layers were combined, washed with a brine solution, dried over anhydrous MgS04, and filtered under a reduced pressure to remove the solvent. The residue was recrystallized from 10percent ethyacetate/hexane to obtain 13.8 g (yield 81percent) of 4-chloro-2-methylboronic acid as a white solid.
suzuki reaction
Computed Properties
Molecular Weight:170.40
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.0305874
Monoisotopic Mass:170.0305874
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-CHLORO-2-METHYLPHENYLBORONIC ACID
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