4-(Chlorosulfonyl)benzoic acid
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4-(Chlorosulfonyl)benzoic acid
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CAS No:
10130-89-9
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Formula:
C7H5ClO4S
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Chemical Name:
4-(Chlorosulfonyl)benzoic acid
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Synonyms:
Benzoic acid,4-(chlorosulfonyl)-;Benzoic acid,p-(chlorosulfonyl)-;4-(Chlorosulfonyl)benzoic acid;p-Carboxybenzenesulfonyl chloride;p-(Chlorosulfonyl)benzoic acid;4-Carboxybenzenesulfonyl chloride;4-Carboxyphenylsulfonyl chloride;NSC 191087
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CAS No:
4-(Chlorosulfonyl)benzoic acid Basic Attributes
220.63
220.63
233-367-2
511364|191087
DTXSID5064960
29173990
Characteristics
79.8
1.5
Off-white to beige Powder
1.5116 (estimate)
235 °C (decomp)
379.1±25.0 °C(Predicted)
183.1±23.2 °C
1.588
Reacts with water.
2.02E-06mmHg at 25°C
Safety Information
II
8
3261
3
34-29-22
8-45-36/37/39-26
C
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 44 companies from 2 notifications to the ECHA C&L Inventory.
4-(Chlorosulfonyl)benzoic acid Use and Manufacturing
A solution of KMnOStep 30a: 4-(Chlorosulfonyl)benzoic acid (Compound 1402)To a solution of p-toluenesulfonyl chloride (1.9 g, 0.01 mol) in HAcZAcStep 1: To a solution of the amine 57A [prepared in a manner analogous to the preparation of 1B from 1A)] (136 mg, 0.493 mmol) in dichloromethane (5 mL) at 0 C. was added triethylamine (0.21 mL, 1.48 mmol) followed by 4-chlorosulfonyl benzoic acid (141 mg, 0.64 mmol). The heterogeneous mixture was allowed to warm to room temperature over 30 min, then allowed to stir at room temperature for 3 h. The reaction mixture was then partitioned between ethyl acetate and 1N aqueous HCl. The organic layer was dried over sodium sulfate and concentrated to give the crude product 57B (227 mg) which was used without further purification. MS (E+) m/z: 461 (MH+); LC retention time (Method A): 3.43 min.
Benzoic acid, 4-(chlorosulfonyl)-: ACTIVE
Computed Properties
Molecular Weight:220.63
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:219.9597075
Monoisotopic Mass:219.9597075
Topological Polar Surface Area:79.8
Heavy Atom Count:13
Complexity:284
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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