ChemicalBook--->CAS DataBase List--->98-58-8

98-58-8

98-58-8 Structure

98-58-8 Structure
IdentificationMore
[Name]

4-Bromobenzenesulfonyl chloride
[CAS]

98-58-8
[Synonyms]

4-BROMOBENZENESULFONYL CHLORIDE
4-BROMOBENZENESULPHONYL CHLORIDE
AKOS BBS-00004603
P-BROMOBENZENESULFONYL CHLORIDE
4-bromo-benzenesulfonylchlorid
Benzenesulfonylchloride,4-bromo-
Bromobenzenesulfonylchloride
4-BROMOBENZENESUNFONYL CHLORIDE
4-Bromobenzenesulfonyl chloride, 98+%
4-Bromo-Benzenesulfonyl
1-(4-BROMO-BENZENESULFONYL)-4-METHYLPIPERAZINE
4-bromobenzene-1-sulfonyl chloride
(4-Bromophenyl)chlorosulfone
4-Bromophenylsulfonyl chloride
p-Bromophenylsulfonyl chloride
p-Brosyl chloride
4-Bromobenzenesulfonic acid chloride
p-Bromobenzenesulfonic acid chloride
4-Bromobenzenesulfonylbromide
[EINECS(EC#)]

202-683-2
[Molecular Formula]

C6H4BrClO2S
[MDL Number]

MFCD00007437
[Molecular Weight]

255.52
[MOL File]

98-58-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige crystals or crystalline powder
[Melting point ]

73-75 °C (lit.)
[Boiling point ]

153 °C/15 mmHg (lit.)
[density ]

1.7910 (estimate)
[Fp ]

152-154°C/26mm
[storage temp. ]

Refrigerator, Under Inert Atmosphere
[solubility ]

soluble in Chloroform, DMSO
[form ]

Crystals or Crystalline Powder
[color ]

White to beige
[Water Solubility ]

decomposes
[Sensitive ]

Moisture Sensitive
[Merck ]

14,1407
[BRN ]

743518
[InChI]

InChI=1S/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
[InChIKey]

KMMHZIBWCXYAAH-UHFFFAOYSA-N
[SMILES]

C1(S(Cl)(=O)=O)=CC=C(Br)C=C1
[CAS DataBase Reference]

98-58-8(CAS DataBase Reference)
[EPA Substance Registry System]

Benzenesulfonyl chloride, 4-bromo- (98-58-8)
Questions And AnswerBack Directory
[Synthesis]

mixture of thiol (1 mmol), 30% H₂O₂ (3 mmol, 0.3 mL), and ZrCl₄ (1 mmol, 0.233 g) was stirred in MeCN (5 mL) at 25°C for an appropriate time. As shown by TLC, after the reaction was complete, the reaction mixture was quenched by adding H₂O (10 mL) and extracted with EtOAc (4 × 5 mL). The extract was dried with anhydrous MgSO₄, and the filtrate was evaporated under vacuum to give 4-bromobenzenesulfonyl chloride.
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29049020
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4-Sulfamoylphenylboronic acid, pinacol ester-->4-(Aminosulfonyl)phenylboronic acid-->4-Bromobenzenesulfonic acid monohydrate-->1-Bromo-4-(phenylsulfonyl)benzene-->BenzenesulfonaMide, 4-broMo-N-[2-(1-pyrrolidinyl)ethyl]--->Benzenesulfonic acid, 4-bromo-, bicyclo[2.2.1]hept-2-yl ester, exo--->N-(3-Acetylphenyl)-4-bromobenzenesulfonamide-->4-bromo-N-(1-naphthyl)benzenesulfonamide-->4-bromo-N-isobutylbenzenesulfonamide-->4-Bromo-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide-->3-(4-Bromo-phenyl)-pyrrole-2,5-dione-->1-(4-Bromophenylsulfonyl)piperidin-4-one-->p-Bromo-N-propylbenzenesulfonamide-->Potassium (4-bromophenylsulfonamido)methyltrifluoroborate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Bromobenzenesulfonyl chloride(98-58-8).msds
Hazard InformationBack Directory
[Chemical Properties]

white to beige crystals or crystalline powder
[Uses]

4-Bromobenzenesulfonyl chloride is used as activating agent in the synthesis of oligodeoxyribo- and oligoribo- nucleotides in solution. It also used in the synthesis of 4-(N-allylsulfamoyl)phenylboronic acid and in protection of amines as 4-bromobenzenesulfonamides.
[Uses]

4-Bromobenzenesulfonyl chloride is used for identification of amines, and also in the synthesis and inhibition studies of substituted N-L-histidinylphenylsulfonyl hydrazide.
[Uses]

Identification of amines.
[Synthesis Reference(s)]

Synthesis, p. 1203, 1992 DOI: 10.1055/s-1992-26333
[Purification Methods]

Wash the sulfonyl chloride with cold water, dry and recrystallise it from pet ether, or from ethyl ether cooled in powdered Dry-Ice after the ether solution had been washed with 10% NaOH until colourless, then dry it with anhydrous Na2SO4. Alternatively dissolve it in CHCl3, wash it with H2O, dry (Na2SO4), evaporate and recrystallise it. [Huntress & Carten J Am Chem Soc 62 511 1940.] Test for the SO2Cl group by dissolving it in EtOH and boiling with NH4CNS whereby a yellow amorphous precipitate forms on cooling. [Beilstein 11 IV 162.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromobenzenesulfonyl chloride(98-58-8)MS
4-Bromobenzenesulfonyl chloride(98-58-8)1HNMR
4-Bromobenzenesulfonyl chloride(98-58-8)13CNMR
4-Bromobenzenesulfonyl chloride(98-58-8)IR1
4-Bromobenzenesulfonyl chloride(98-58-8)IR2
4-Bromobenzenesulfonyl chloride(98-58-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Bromobenzenesulfonyl chloride, 98%(98-58-8)
[Alfa Aesar]

4-Bromobenzenesulfonyl chloride, 98+%(98-58-8)
[Sigma Aldrich]

98-58-8(sigmaaldrich)
[TCI AMERICA]

4-Bromobenzenesulfonyl Chloride,>98.0%(T)(98-58-8)
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