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8014-95-7 molecular structure
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sulfonylideneoxidane; sulfuric acid

ChemBase ID: 136318
Molecular Formular: H2O7S2
Molecular Mass: 178.14168
Monoisotopic Mass: 177.9241944
SMILES and InChIs

SMILES:
OS(=O)(=O)O.O=S(=O)=O
Canonical SMILES:
OS(=O)(=O)O.O=S(=O)=O
InChI:
InChI=1S/H2O4S.O3S/c1-5(2,3)4;1-4(2)3/h(H2,1,2,3,4);
InChIKey:
HIFJUMGIHIZEPX-UHFFFAOYSA-N

Cite this record

CBID:136318 http://www.chembase.cn/molecule-136318.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sulfonylideneoxidane; sulfuric acid
IUPAC Traditional name
sulfur trioxide; sulfuric acid
Synonyms
Oleum
Sulfuric acid, fuming
发烟硫酸
硫酸,发烟
CAS Number
8014-95-7
MDL Number
MFCD00137792
Beilstein Number
2037554
PubChem SID
24856355
24859401
162230588
24858586
24867243
24863393
24861913
PubChem CID
24681

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.034349  H Acceptors
H Donor LogD (pH = 5.5) -5.569452 
LogD (pH = 7.4) -5.594027  Log P -0.841552 
Molar Refractivity 13.7708 cm3 Polarizability 6.279968 Å3
Polar Surface Area 74.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
colorless to very light brown expand Show data source
Density
1.90 g/mL at 20 °C expand Show data source
1.925 g/mL at 25 °C(lit.) expand Show data source
Vapor Pressure
2 mmHg ( 25 °C) expand Show data source
Vapor Density
3 (vs air) expand Show data source
RTECS
WS5605000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
1831 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
14-35-37 expand Show data source
Safety Statements
26-30-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1831 8/PG 1 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
≤87% total SO3 basis expand Show data source
12.0-17.0% free SO3 basis (ACS specification) expand Show data source
15% free SO3 basis expand Show data source
18.0-24.0% free SO3 basis (ACS specification) expand Show data source
20% free SO3 basis expand Show data source
20-30% free SO3 basis expand Show data source
26.0-29.5% free SO3 basis (ACS specification) expand Show data source
28.0-32.0% free SO3 basis (with NaOH) expand Show data source
30% free SO3 basis expand Show data source
65.5-68.0% free SO3 basis (with NaOH) expand Show data source
Concentration
30.0-33.0% expand Show data source
60.0-63.0% expand Show data source
Grade
ACS reagent expand Show data source
JIS special grade expand Show data source
puriss. p.a. expand Show data source
reagent grade expand Show data source
SAJ first grade expand Show data source
Ignition Residue
≤0.002% expand Show data source
≤0.01% expand Show data source
Impurities
≤0.0002% ammonium (NH4) expand Show data source
≤0.0005% heavy metals (as Pb) expand Show data source
Cation Traces
As: ≤0.03 mg/kg expand Show data source
As: ≤0.03 ppm expand Show data source
Fe: ≤2 ppm expand Show data source
Fe: ≤50 mg/kg expand Show data source
NH4+: ≤3 ppm expand Show data source
Antion Traces
chloride (Cl-): ≤5 mg/kg expand Show data source
nitrate (NO3-): ≤1 ppm expand Show data source
Linear Formula
H2SO4 · (SO3)x expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 778990 external link
Caution
may contain particle
Sigma Aldrich - 357413 external link
Caution
may contains particles
Sigma Aldrich - 435597 external link
Packaging
500 g in glass bottle
Sigma Aldrich - 323551 external link
Packaging
500 g in PVC coated

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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