Sulfur trioxide pyridine complex

C5H5NO3SCAS 26412-87-3159.16 g/mol

Open in Covalent MOL file
OSOON

Properties

Molecular formula
C5H5NO3S
Molar mass
159.16 g/mol
Exact mass
158.9990 Da
logP
0.08Crippen estimate
Polar surface area
64.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 109 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number
26412-87-3
SMILES
O=S(=O)=O.c1ccncc1
InChIKey
UDYFLDICVHJSOY-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-5H;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Pyridine, compd. with sulfur trioxide (1:1)
  • Sulfur trioxide, compd. with pyridine (1:1)
  • Pyridine, compd. with SO3
  • Pyridine-sulfur trioxide complex
  • Pyridine-sulfur trioxide complex (1:1)
  • Pyridine sulfur trioxide
  • Pyridine-sulfur trioxide (1:1)
  • Sulfur trioxide-pyridine
  • NSC 75831

Work with Sulfur trioxide pyridine complex

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pyridine110-86-1Free base Pyridine-D57291-22-7Free base, labelled Pyridinium chlorochromate26299-14-9Salt Pyridinium p-toluenesulfonate24057-28-1Salt Pyridinium chloride628-13-7Salt Poly(pyridine fluoride)62778-11-4Salt Pyridinium hydrobromide18820-82-1Salt Pyridinium trifluoroacetate464-05-1Salt Hydrofluoric acid pyridine complex32001-55-1Salt Pyridine methanesulfonate39879-60-2Salt Pyridinium fluorochromate83042-08-4Salt Bis(pyridine)iodonium tetrafluoroborate15656-28-7Salt

Similar compounds

Sulfur trioxide7446-11-940 % similar Cornforth reagent20039-37-638 % similar Pyrimidine289-95-232 % similar Pyrazine290-37-931 % similar 4-Phenylpyridine939-23-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyridine-2-sulfonic acid15103-48-7 4-Pyridinesulphonic acid5402-20-0 3-Pyridinesulfonic acid636-73-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia