5-CHLORO-2-FORMYL-BENZOIC ACID
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5-CHLORO-2-FORMYL-BENZOIC ACID
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CAS No:
4506-45-0
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Formula:
C8H5ClO3
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Chemical Name:
5-CHLORO-2-FORMYL-BENZOIC ACID
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Synonyms:
5-CHLORO-2-FORMYL-BENZOIC ACID
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CAS No:
Safety Information
22-41
26-39
Xn
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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-CHLORO-2-FORMYL-BENZOIC ACID Use and Manufacturing
General procedure: To a dried flask containing a magnetic stir bar under an atmosphere of dry argon was added 2-bromobenzoic acid (1.0 equiv) and dry THF (0.5 M). The solution was cooled to -78 C followed by drop-wise addition of n-BuLi (2.0 equiv, 2.5 M in hexane). The reaction mixture was stirred at -78 C for 30 min. Then the reaction mixture was drop-wise added with DMF (1.2 equiv), keep stirring for 3 - 4 hours, and quenched by saturated aqueous NH4Cl. The organic phase was extracted with EtOAc, washed with brine, dried over sodium sulfate, and concentrated in vacuo. The crude products were used directly for the next step without further purification.
Computed Properties
Molecular Weight:184.57
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:183.9927217
Monoisotopic Mass:183.9927217
Topological Polar Surface Area:54.4
Heavy Atom Count:12
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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