4-Iodobenzenesulfonyl chloride

HCID 7399CAS 98-61-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=S(=O)(Cl)c1ccc(I)cc1
InChIKey
POXFXTSTVWDWIR-UHFFFAOYSA-N
Molecular formula
C6H4ClIO2S
Average molar mass
302.52 g/mol
Monoisotopic mass
301.86652605

Names & identifiers

Preferred name
4-Iodobenzenesulfonyl chloride
IUPAC
4-iodobenzenesulfonyl chloride
English name
4-Iodobenzenesulfonyl chloride
Molecular formula
C6H4ClIO2S
Molecular weight
302.52

Names & synonyms

4-Iodobenzenesulfonyl chloride98-61-3Pipsyl chloridePipsyl chorideBenzenesulfonyl chloride, 4-iodo-4-Iodophenylsulfonyl ChlorideMVL274EZOGp-Iodophenylsulfonyl chlorideNSC-77079DTXSID9059175RefChem:863634DTXCID2049058
Show more names
4-IodobenzenesuLPipsyl chloride,97%4-Iodo-benzenesulfonylPipsyl chloride, 97% 5GR4-Jodobenzenesulfonylchloride4-iodo-benzenesulfonylchlorid
202-686-94-iodobenzene-1-sulfonyl chloridep-Iodobenzenesulfonyl chloride4-Iodobenzenesulphonyl chlorideMFCD00007441Iodobenzene-p-sulfonyl chlorideUNII-MVL274EZOGP-IODOBENZENESULPHONYL CHLORIDE

Database identifiers

CAS
98-61-3
PubChem CID
7399
DTXSID
DTXSID9059175
UNII
MVL274EZOG
EC Number
202-686-9
Nikkaji
J4.955G

Properties

Computed structural properties

XLogP
3
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 PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
80 · 80-82 °C (lit.)
Boiling point
319.1 · 319.1±25.0 °C(Predicted)
Density
1.999 · 1.999 (estimate)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility
100 mg/mL, · ethanol: soluble100mg/mL, clear to slightly hazy, colorless to yellow
form
Crystals or Crystalline Powder

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 Corr. 1B (100%)

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-iodo-: ACTIVE

Applications

UsesIt is used as intermediate in organic syntheses & in medicine.

General DescriptionThe reaction of 4-iodobenzenesulfonyl chloride (pipsyl chloride) with peptides under various conditions has been studied.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]

Related reactions

158 records
New reaction record

Linked notes

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