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Home > Encyclopedia > 5-CHLORO-2-FORMYL-BENZOIC ACID

5-CHLORO-2-FORMYL-BENZOIC ACID

5-CHLORO-2-FORMYL-BENZOIC ACID structure

5-CHLORO-2-FORMYL-BENZOIC ACID 

structure
  • CAS No:

    4506-45-0

  • Formula:

    C8H5ClO3

  • Chemical Name:

    5-CHLORO-2-FORMYL-BENZOIC ACID

  • Synonyms:

    5-CHLORO-2-FORMYL-BENZOIC ACID

5-CHLORO-2-FORMYL-BENZOIC ACID Basic Attributes

184.58

183.992722

DTXSID60428347

2918300090

Characteristics

54.4

1.7

1.5±0.1 g/cm3

122-124 °C

276°C at 760 mmHg

163.7±23.7 °C

1.633

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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