1-Bromo-4-(methylsulphonyl)benzene

HCID 77014CAS 3466-32-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)c1ccc(Br)cc1
InChIKey
FJLFSYRGFJDJMQ-UHFFFAOYSA-N
Molecular formula
C7H7BrO2S
Average molar mass
235.1 g/mol
Monoisotopic mass
233.93501256

Names & identifiers

Preferred name
1-Bromo-4-(methylsulphonyl)benzene
IUPAC
1-bromo-4-methylsulfonylbenzene
English name
4-Bromophenyl methyl sulfone
Molecular formula
C7H7BrO2S
Molecular weight
235.1

Names & synonyms

4-Bromophenyl methyl sulfone3466-32-8Benzene, 1-bromo-4-(methylsulfonyl)-Methyl 4-bromophenyl sulfonep-Bromophenyl methyl sulfoneSulfone, p-bromophenyl methyl1-Bromo-4-(methylsulphonyl)benzeneNSC 174742EINECS 222-421-0DTXSID20188218RefChem:430602DTXCID50110709
Show more names
4-BromophenylTIMTEC-BB SBB0062944-Bromo phenyl methyl4-BROMOPHENYL METHYL SULFONMethyl 4-Bromophenylsulfone4-Bromophenyl methylesulfoneP-METHYL BENZENESULFOBROMIDEphenylmethanesulfonyl bromide
Benzene, 1-bromo-4-(methylsulfonyl)-(9CI)222-421-0Sulfone, p-bromophenyl methyl (8CI)1-Bromo-4-(methylsulfonyl)benzene1-bromo-4-methylsulfonylbenzene1-bromo-4-methanesulfonylbenzeneMFCD000250654-bromophenyl methyl sulphone

Database identifiers

CAS
3466-32-8
PubChem CID
77014
DTXSID
DTXSID20188218
EC Number
222-421-0
Nikkaji
J145.971F

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
42.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
103 · 103-107 °C (lit.)
Boiling point
348.6 · 348.6±34.0 °C(Predicted)
Density
1.595 · 1.595±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
solubility
soluble in Methanol
form
Crystals or Crystalline Powder

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29309090
risk_code
22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses4-Bromophenyl methyl sulfone may be used to synthesize:biaryl methyl sulfones5-[[-4-(methylsulfonyl)phenyl]thio]thiophene-2-sulfonamide1-[4-(methylsulfonyl)phenyl]-1H-pyrazole (Hmsppz)DuP 697 via reaction with (5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)trimethylsilane4-Bromophenyl methyl sulfone (1-bromo-4-(methylsulfonyl)benzene) can undergo coupling reaction with benzene sulfonamide in the presence of copper(I)iodide to form the corresponding N-aryl sulfonamide.

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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

93 records
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Linked notes

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