Sulfur trioxide-pyridine
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Basic information
- CAS
26412-87-3- Standard SMILES
O=S(=O)=O.c1ccncc1- InChIKey
UDYFLDICVHJSOY-UHFFFAOYSA-N- Molecular formula
- C5H5NO3S
- Average molar mass
- 159.17 g/mol
- Monoisotopic mass
- 158.99901402
Overview
See also: Pyridine, compound with sulfur trioxide (annotation moved to); Sulfur trioxide, compd. with pyridine (annotation moved to).
Names & identifiers
- Preferred name
- Sulfur trioxide-pyridine
- IUPAC
- pyridine;sulfur trioxide
- English name
- Pyridine sulfur trioxide
- Molecular formula
- C5H5NO3S
- Molecular weight
- 159.16
Names & synonyms
26412-87-3sulfur trioxide-pyridineSVL47N2N3YNSC-75831RefChem:1099229247-683-3Pyridine sulfur trioxidepyridine;sulfur trioxide28322-92-1Pyridine sulfotrioxideMFCD00012437Pyridine compound with sulfur trioxide (1:1)
Show more names
SULFUR TRIOXIDE PYRIDINE COMPLEXsulfur trioxide pyridinepyso3SO3.PyPYRIDINE SULFUR TRIOXIDE COMPLEXPyridineSO3NSC 75831fur trioxidePyridine suL
Pyridine, compound with sulphur trioxidepyridine; sulfonylideneoxidaneSulfur Trioxide-Pyridine; SO3-PyPyridine-Sulfur TrioxideSO3.PyridineSulphur trioxide--pyridine (1:1)EINECS 247-683-3EINECS 248-968-5
Database identifiers
- CAS
26412-87-3、28322-92-1- PubChem CID
- 168533
- DTXSID
DTXSID50885349- UNII
- SVL47N2N3Y
- EC Number
- 247-683-3、248-968-5
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 92.8
Physicochemical properties
- Melting point
- 160 °C · ~160 °C
- bulk density
- 600 kg/m3 · 600kg/m3
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Soluble in polar organic solvents.
- form
- Powder
- color
- White to beige
- Water Solubility
- reacts
- Sensitive
- Moisture Sensitive
- BRN
- 3704116 · 3704116
- InChI
- InChI=1S/C5H5N.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-5H;
- InChIKey
- UDYFLDICVHJSOY-UHFFFAOYSA-N
- SMILES
- C1=CC=NC=C1.S(=O)(=O)=O
- CAS DataBase Reference
- 26412 · 26412-87-3(CAS DataBase Reference)
- FDA UNII
- 47 N2N3Y · SVL47N2N3Y
- EPA Substance Registry System
- Pyridine sulfur trioxide (26412-87-3)
- UNSPSC Code
- 12352303 · 12352303
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, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 109 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 22-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11865
Sulfur trioxide pyridine complex: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 3-10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29420000
- Toxicity
- LD50 orally in Rabbit: 500 - 2000 mg/kg
- risk_code
- 22-34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Pyridine, compd. with sulfur trioxide (1:1): ACTIVE
Sulfur trioxide, compd. with pyridine (1:?): INACTIVE
Applications
DescriptionPyridine sulphur trioxide is an important reaction reagent that can react with various compounds such as aldehydes, anthracenes and pyrroles to produce other heterocyclic compounds. Pyridine sulphur trioxide is primarily used in addition reactions or sulphonation processes.
UsesPyridine-Sulfur Trioxide Complex is used in the sulfation of squid ink polysaccharides (SIPs) as a potential candidate compound for the prevention of tumor metastasis. Pyridine-Sulfur Trioxide Complex is also used in the preparation and anticoagulation test of sulfated silk fibroin.
UsesUsually used for sulfations of alcohols, sulfonations, deoxygenations and other reductions, oxidations with DMSO.
UsesSulfur trioxide-pyridine complex is used for sulfations of alcohols, sulfonations, deoxygenations and other reductions, oxidations with dimethyl sulfoxide. It is also used as a source of sulfur trioxide especially in the preparation of sulfate esters. Further, it is used as an activating electrophile in a Parikh-Doering oxidation. In addition to this, it is also used in the preparation and anticoagulation test of sulfated silk fibroin.
Upstream & downstream products
Upstream raw materials
Related reactions
165 records
Compound notes
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