2-Bromo-4-chlorobenzoicacid
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2-Bromo-4-chlorobenzoicacid
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CAS No:
936-08-3
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Formula:
C7H4BrClO2
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Chemical Name:
2-Bromo-4-chlorobenzoicacid
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Synonyms:
2-Bromo-4-chlorobenzoic acid;2-bromo-4-chloro-benzoic Acid;Benzoic acid, 2-bromo-4-chloro-;MFCD00672930;2-Bromo-4-chlorobenzoicacid;PubChem4028;ACMC-209rmm;p-chloro(bromo)benzoic acid;2-Bromo-4chlorobenzoic acid;KSC486M1D
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CAS No:
Safety Information
UN 2928
3
R22;R34;R50
S26-S36/37/39-S45-S61
C:Corrosive;N:Dangerousfortheenvironment;
P261-P273-P301 + P310-P305 + P351 + P338
H301-H315-H319-H335-H400
|Danger|H301 (93.18%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-4-chlorobenzoicacid Use and Manufacturing
Step 1: Preparation 4-chloro-2-((1, 1-dioxidotetrahydro-2H-thiopyran)-4-sulfonamido)benzoic acid According to conditions of Step 1 of General Synthesis 9, Example 135 Synthesis of 4-chloro-N-(4-cyanobicyclo[2.2.2]octan-1-yl)-2-((3, 3, 3-trifluoropropyl)sulfonamido)benzamide 4-Chloro-2-((3, 3, 3-trifluoropropyl)sulfonamido)benzoic acid was prepared by following General Synthesis 9, using Example 218 Preparation of 4-chloro-N-(8-(methylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-((3, 3, 3-trifluoropropyl)sulfonamido)benzamide 4-Chloro-2-((3, 3, 3-trifluoropropyl)sulfonamido)benzoic acid was synthesized using General Synthesis 9, with the addition of sarcosine ligand (0.20 equiv.), and starting from Compound 1 (81.00 g, 344.01 mmol) was dissolved in dichloromethane (1.1 L).Then tert-butyl trichloroacetimidate (300.68 g, 1.38 mol) was added dropwise at room temperature, Reaction at 20 C for 12 hours, TLC (petroleum ether / ethyl acetate volume ratio = 5/1) showed that the reaction was complete.The reaction system was quenched by adding 1.5L of water, Then extracted with dichloromethane (3 * 0.5L), the organic phase was washed with brine, Then dried and concentrated to obtain the crude product, It was then separated and purified by column chromatography (volume ether / ethyl acetate volume ratio = 50 / to 5/1) to obtain compound 2 (85 g). The yield was 85%.Step 1): Compound 14 (5.0 g, 21.2 mmol) was dissolved in ethanol (80 mL) at room temperature.Add thionyl chloride (8mL) under ice water bath, Heated to 60 C, stirred for 12 hours, concentrated under reduced pressure, Ethyl acetate (30 mL) was added, followed by washing with a saturated sodium bicarbonate solution (10 mL × 2), water (8 mL), and a saturated sodium chloride solution (8 mL) in this order, and the organic phase was dried over anhydrous sodium sulfate.Filtration and concentration under reduced pressure gave liquid compound 15 (5.0 g) as a yellow oil.
Computed Properties
Molecular Weight:235.46
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:233.90832
Monoisotopic Mass:233.90832
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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