4-Iodobenzenesulfonyl chloride
Completing data — refresh the page later to see the latest
Basic information
- CAS
98-61-3- 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 propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 213
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
- color
- White to beige or orange
- Water Solubility
- Reacts with water.
- Sensitive
- Moisture & Light Sensitive
- Merck
- 14 · 14,7486
- BRN
- 2691661 · 2691661
- InChI
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45-28A
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
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
Downstream products
Related reactions
158 records
Compound notes
Loading…