p-Bromobenzenesulfonyl chloride

HCID 7396CAS 98-58-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=S(=O)(Cl)c1ccc(Br)cc1
InChIKey
KMMHZIBWCXYAAH-UHFFFAOYSA-N
Molecular formula
C6H4BrClO2S
Average molar mass
255.52 g/mol
Monoisotopic mass
253.88039015

Names & identifiers

Preferred name
p-Bromobenzenesulfonyl chloride
IUPAC
4-bromobenzenesulfonyl chloride
English name
4-Bromobenzenesulfonyl chloride
Molecular formula
C6H4BrClO2S
Molecular weight
255.52

Names & synonyms

4-Bromobenzenesulfonyl chloride98-58-8p-Bromobenzenesulfonyl chlorideBenzenesulfonyl chloride, 4-bromo-4-Bromobenzenesulphonyl chloridep-Bromophenylsulfonyl chlorideBenzenesulfonyl chloride, p-bromo-C6347T8FP1NSC 4506NSC-4506EINECS 202-683-2DTXSID9059173
Show more names
4-BromobenzenesuLp-Brosyl chlorideAKOS BBS-000046034-Bromobenzenesulfon4-Bromo-Benzenesulfonyl(4-Bromophenyl)chlorosulfoneBromobenzenesulfonylchloride4-Bromobenzenesulfonylbromide
KMMHZIBWCXYAAH-UHFFFAOYSA-BROMOBENZENESULFONYL CHLORIDE, P-4-BROMOBENZENESULFONYL CHLORIDE [MI]RefChem:858002DTXCID2049056Benzenesulfonyl chloride, p-bromo-(8CI)InChI=1/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H4-bromobenzene-1-sulfonyl chloride

Database identifiers

CAS
98-58-8
PubChem CID
7396
DTXSID
DTXSID9059173
UNII
C6347T8FP1
EC Number
202-683-2
Nikkaji
J94.960D

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
42.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
73 · 73-75 °C (lit.)
Boiling point
153 °C/15 · 153 °C/15 mmHg (lit.)
Density
1.791 · 1.7910 (estimate)
Flash point
152 · 152-154°C/26mm
storage temp.
Refrigerator, Under Inert Atmosphere
solubility
soluble in Chloroform, DMSO

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 3.8% (2 of 52) of reports.

Danger

H314 (96.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 17-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33493

4-Bromobenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1C (96.2%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29049020
risk_code
34

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonyl chloride, 4-bromo-: ACTIVE
Applications · 3 items

Uses4-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.

Uses4-Bromobenzenesulfonyl chloride is used for identification of amines, and also in the synthesis and inhibition studies of substituted N-L-histidinylphenylsulfonyl hydrazide.

UsesIdentification of amines.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

482 records
New reaction record

Linked notes

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