Basic information
- CAS
71735-31-4- Standard SMILES
O=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F- InChIKey
IKMBXKGUMLSBOT-UHFFFAOYSA-N- Molecular formula
- C6HF5O3S
- Average molar mass
- 248.13 g/mol
Names & identifiers
- Preferred name
- Barium pentafluorobenzenesulphonate
- IUPAC
- 2,3,4,5,6-pentafluorobenzenesulfonic acid
- English name
- Barium pentafluorobenzenesulfonate
- Molecular formula
- C12BaF10O6S2
- Molecular weight
- 631.57
Names & synonyms
Barium pentafluorobenzenesulphonateEINECS 275-943-6NSC 88342RefChem:561024275-943-6313-50-82,3,4,5,6-pentafluorobenzenesulfonic acidperfluorobenzenesulfonic acidPENTAFLUOROBENZENESULFONIC ACIDNCIOpen2_009641SCHEMBL36242SCHEMBL764972
Show more names
Barium pentafluorobenzenesulfonatePENTAFLUOROBENZENESULFONIC ACID, BAPENTAFLUOROBENZENESULFONIC ACID, BARIUM SALTBis(pentafluorobenzenesulfonic acid)barium saltbarium(2+),2,3,4,5,6-pentafluorobenzenesulfonicaci
pentafluorobenzene sulfonic acidIKMBXKGUMLSBOT-UHFFFAOYSA-N
Database identifiers
- CAS
71735-31-4- PubChem CID
- 417247
- EC Number
- 275-943-6
- Nikkaji
- J1.637.937I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- form
- Flakes
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/22
- Safety Statements
- 28 · 28-36-26
- WGK Germany
- 1 · 1
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- 1
- risk_code
- 20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 28-36-26
- Hazard statements
- H332-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Suppliers3 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
5 records
Compound notes
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