4-Chloro-1-butanesulfonyl chloride
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4-Chloro-1-butanesulfonyl chloride
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CAS No:
1633-84-7
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Formula:
C4H8Cl2O2S
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Chemical Name:
4-Chloro-1-butanesulfonyl chloride
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Synonyms:
1-Butanesulfonyl chloride,4-chloro-;4-Chloro-1-butanesulfonyl chloride;4-Chlorobutanesulfonyl chloride;1-Chloro-4-butanesulfonyl chloride
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CAS No:
4-Chloro-1-butanesulfonyl chloride Basic Attributes
191.07612
191.08
216-648-4
DTXSID40167560
2904909090
Safety Information
Ⅲ
1760
8
|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 2 companies from 1 notifications to the ECHA C&L Inventory.
4-Chloro-1-butanesulfonyl chloride Use and Manufacturing
To a mixture of [1, 2] oxathiane 2, 2-dioxide (D23) (50 g, 367 mmol, 1 equiv) and SOCS (29 ML, 401 mmol, 1.1 equiv) was added DMF (4 MI, 51.6 mmol, 0.14 equiv). The resulting mixture was stirred under nitrogen at 70 C for 3 days. A second portion of SOC12 (10 ml, 137 mmol, 0. 37 equiv) was added. The mixture was stirred at 70 C for another 3 days and then cooled to room temperature and concentrated in vacuo. The residue was diluted with toluene then concentrated in vacuo. This procedure was repeated and the residue was dried under vacuum for 16 h to give crude 4-CHLORO-1-BUTANESULFONYL chloride (D20) (63 g, 90percent).To a mixture of 1 , 2-oxathiane 2, 2-dioxide (commercially available from Aldrich, 50 g, 367 mmol, 1 equiv) and SOCI6.0 g (66percent, 22.5 mmol) 14-a were added batchwise to 6 ml phosphorus oxychloride while cooling with an ice bath. Then 9.3 g (45.0 mmol) phosphorus pentachloride was also added batchwise and the mixture was stirred for 24 hours at reflux temperature. It was evaporated to dryness i. vac., the residue was combined with diethyl ether and filtered to remove the insoluble matter. The filtrate was distilled off under 1 mbar pressure at a bottom temperature of 130-170° C. Yield 2.4 g (31percent) 14-b (purity approx. 54percent).
Computed Properties
Molecular Weight:191.08
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:189.9622061
Monoisotopic Mass:189.9622061
Topological Polar Surface Area:42.5
Heavy Atom Count:9
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 4-Chloro-1-butanesulfonyl chloride
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InquiryUnit Price: $100 /KG EXWCAS No.: 1633-84-7Grade: Pharmaceutical GradeContent: 99%
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4-Chloro-1-butanesulfonyl chloride
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