Basic information
- CAS
141694-39-5- Standard SMILES
O=S(=O)(F)Oc1ccc2ccccc2c1- InChIKey
IJQQGAGYVGLLJL-UHFFFAOYSA-N- Molecular formula
- C10H7FO3S
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.00999342
Names & identifiers
- Preferred name
- Naphthalen-2-yl sulfofluoridate
- IUPAC
- 2-fluorosulfonyloxynaphthalene
- English name
- Fluorosulfuric acid, 2-naphthalenyl ester
- Molecular formula
- C10H7FO3S
- Molecular weight
- 226.22
Names & synonyms
141694-39-5naphthalen-2-yl sulfofluoridatenaphthalen-2-yl fluoranesulfonate2-Naphthalenyl ester fluorosulfuric acidFluorosulfuric acid, 2-naphthalenyl esterNAPHTHALEN-2-YL SULFUROFLUORIDATESCHEMBL17318166MFCD29472040CS-0190344E94387EN300-7462007Z2511805396
Database identifiers
- CAS
141694-39-5- PubChem CID
- 85642956
- EC Number
- 809-231-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 87 · 87-88 °C
- Boiling point
- 338.6 · 338.6±15.0 °C(Predicted)
- Density
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- form
- powder
- InChI
- 1S/C10H7FO3S/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
- InChIKey
- IJQQGAGYVGLLJL-UHFFFAOYSA-N
- SMILES
- O=S(OC1=CC=C2C(C=CC=C2)=C1)(F)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
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, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
UsesThe following aryl fluorosulfate can be utilized as a cross-coupling partner in Suzuki-Miyaura reactions. The standard reaction conditions for these palladium-catalyzed C-C bond formations are ligand-free and can be performed in water, at room temperature and are not air sensitive.
Suppliers8 total
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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