4-tert-Butylbenzenesulfonamide
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4-tert-Butylbenzenesulfonamide
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CAS No:
6292-59-7
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Formula:
C10H15NO2S
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Chemical Name:
4-tert-Butylbenzenesulfonamide
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Synonyms:
Benzenesulfonamide,4-(1,1-dimethylethyl)-;Benzenesulfonamide,p-tert-butyl-;4-(1,1-Dimethylethyl)benzenesulfonamide;p-tert-Butylbenzenesulfonamide;p-(tert-Butyl)phenylsulfonamide;4-tert-Butylbenzenesulfonamide;NSC 9911;4-(TertButyl)benzenesulfonamide
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CAS No:
4-tert-Butylbenzenesulfonamide Basic Attributes
213.3
213.30
1308068-626-2
3HBX5G8GUV
9911
DTXSID70278754
2935009090
Safety Information
UN3335
20/21/22
22-36/37/39
Xi
Irritant
P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Danger|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 9 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-tert-Butylbenzenesulfonamide Use and Manufacturing
To a 500-mL round-bottomed flask was added (4-tert-butylphenyl) sulfonyl chloride (2.30 g, 10.0 mmol) in 100 mL CH2Cl2 at 0° C. and then concentrated NH4OH (50 mL, 100 mmol, 10 equiv). The mixture was allowed to warm to rt and stirred for 20 h. The solvent was evaporated under diminished pressure and the remaining slurry was filtered by Buechner funnel, giving 1.60 g (75percent) of Compound A as a white solid.
4-tert-Butylbenzenesulfonamide is an intermediate as well as a degradation impurity of the endothelin receptor antagonist Bosentan (B675900).
Computed Properties
Molecular Weight:213.30
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:213.08234989
Monoisotopic Mass:213.08234989
Topological Polar Surface Area:68.5
Heavy Atom Count:14
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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