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10147-37-2 molecular structure
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propane-2-sulfonyl chloride

ChemBase ID: 9746
Molecular Formular: C3H7ClO2S
Molecular Mass: 142.60448
Monoisotopic Mass: 141.98552814
SMILES and InChIs

SMILES:
C(S(=O)(=O)Cl)(C)C
Canonical SMILES:
CC(S(=O)(=O)Cl)C
InChI:
InChI=1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3
InChIKey:
DRINJBFRTLBHNF-UHFFFAOYSA-N

Cite this record

CBID:9746 http://www.chembase.cn/molecule-9746.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propane-2-sulfonyl chloride
IUPAC Traditional name
propane-2-sulfonyl chloride
Synonyms
propane-2-sulfonyl chloride
2-Propanesulfonyl chloride
Isopropylsulfonyl chloride
Isopropylsulphonyl chloride
Isopropylsulfonyl chloride
异丙基磺酰氯
2-丙烷磺酰氯
CAS Number
10147-37-2
EC Number
233-415-2
MDL Number
MFCD00007453
Beilstein Number
1747497
PubChem SID
24854579
160973053
PubChem CID
82408

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8827841  LogD (pH = 7.4) 0.8827841 
Log P 0.8827841  Molar Refractivity 29.5182 cm3
Polarizability 12.453823 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-47°C expand Show data source
Boiling Point
74-75 °C/19 mmHg(lit.) expand Show data source
74-75°C expand Show data source
74-75°C/19mm expand Show data source
95°C/45mm expand Show data source
Flash Point
186.8 °F expand Show data source
187 °F expand Show data source
86 °C expand Show data source
86°C(186°F) expand Show data source
Auto Ignition Point
865 °F expand Show data source
Density
1.27 expand Show data source
1.27 g/mL at 25 °C(lit.) expand Show data source
1.270 expand Show data source
1.273 expand Show data source
Refractive Index
1.453 expand Show data source
1.4530 expand Show data source
1.4560 expand Show data source
n20/D 1.453(lit.) expand Show data source
n20/D 1.455 expand Show data source
Vapor Pressure
15.5 mmHg ( 25 °C) expand Show data source
Vapor Density
4 (vs air) expand Show data source
Hydrophobicity(logP)
-0.495 expand Show data source
Storage Warning
LACHRYMATOR, CORROSIVE expand Show data source
Lachrymatory/Corrosive expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
UN3265 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-28.1-36/37/39-45 expand Show data source
26-28-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318-H227 expand Show data source
GHS Precautionary statements
P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
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 3265 8/PG 2 expand Show data source
Purity
≥97.0% (GC) expand Show data source
95% expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Linear Formula
(CH3)2CHSO2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 242705 external link
Packaging
5, 25, 100 g in glass bottle
Sigma Aldrich - 81812 external link
Other Notes
Reagent for preparing sulfonates from alcohols which can be deoxygenated with triethylborohydride1,2,3

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Reductive cleavage of a secondary alcohol to methylene has been achieved by reduction of the 2-propanesulfonyl ester with lithium triethylborohydride. Reduction of the mesylate and tosylate yielded only the starting alcohol: J. Am. Chem. Soc., 107, 4088 (1985).
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PATENTS

PATENTS

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INTERNET

INTERNET

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