Basic information
- CAS
368-43-4- Standard SMILES
O=S(=O)(F)c1ccccc1- InChIKey
IDIPWEYIBKUDNY-UHFFFAOYSA-N- Molecular formula
- C6H5FO2S
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 159.99942862
Names & identifiers
- Preferred name
- Benzenesulfonyl fluoride
- IUPAC
- benzenesulfonyl fluoride
- English name
- BENZENESULFONYL FLUORIDE
- Molecular formula
- C6H5FO2S
- Molecular weight
- 160.17
Names & synonyms
Benzenesulfonyl fluoride368-43-4Phenylsulfonylfluoridebenezenesulfonyl fluorideDTXSID8059897RefChem:118106DTXCID9039234206-707-2Phenylsulfonyl fluorideBenzenesulphonyl fluorideBenzenesulfonylfluorideMFCD00007412
Show more names
Benzenesulphonylfluoride99%Benzenesulfonyl fluoride 99%Benzenesulfonyl fluoride,99%Benzenesulphonyl fluoride 99%Benzenesulfonic acid fluorideBenzenesulfonyl fluoride, 99% 5GR
Benzenesulphonylfluoridefluorophenylsulfonestarbld0016544WLN: WSFRSCHEMBL323729Benzenesulfonyl fluoride, 99%SCHEMBL1490225SCHEMBL1727931
Database identifiers
- CAS
368-43-4- PubChem CID
- 67779
- DTXSID
DTXSID8059897- ChEMBL
CHEMBL4474306- EC Number
- 206-707-2
- Nikkaji
- J41.348H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 207 · 207-208 °C (lit.)
- Density
- 1.333 g/mL · 1.333 g/mL at 25 °C (lit.)
- vapor density
- 5.52 · 5.52
- refractive index
- 20 · n20/D 1.492(lit.)
- Flash point
- 189 °F · 189 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- liquid
- color
- Clear liquid
- Sensitive
- Moisture Sensitive
- BRN
- 2206835 · 2206835
- InChI
- 1S/C6H5FO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
- InChIKey
- IDIPWEYIBKUDNY-UHFFFAOYSA-N
- SMILES
- FS(=O)(=O)c1ccccc1
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DB8940000
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29049095
- Toxicity
- LD50 ipr-rat: 100 mg/kg NATUAS 173,33,54
- risk_code
- 20/21/22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C
- hazard_note
- Corrosive/Moisture Sensitive
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonyl fluoride: INACTIVE
Applications
UsesBenzenesulfonyl fluoride has been used in the preparation of α-sulfonyl phosphonates by direct sulfonylation of lithiated alkyl phosphonates.
General DescriptionThe gas-phase fluorine migration reactions of radical cations of benzenesulfonyl fluoride have been studied by electron ionization tandem mass spectrometry.
Upstream & downstream products
Downstream products
Suppliers53 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
Related reactions
5 records
Compound notes
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