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1-OCTADECANESULFONYL CHLORIDE

CAS：10147-41-8
MW:353.002
MF：C18H37ClO2S

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Names and ldentifier
Properties
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 1-OCTADECANESULFONYL CHLORIDE

1.2 Synonyms: 1-Octadecanesulfonic acid chloride; 1-OCTADECANESULFONYL CHLORIDE; 1-Octadecylsulfonyl chloride; Octadecan-1-sulfonyl chloride; Octadecan-1-sulfonylchlorid; octadecane-1-sulfonyl chloride; octadecane-1-sulphonyl chloride; Octadecylsulfonyl chloride;

1.3 CAS No.: 10147-41-8

1.4 CID: 66281

1.5 EINECS: 233-417-3

1.6 Molecular Formula: C18H37ClO2S

1.7 Inchi: InChI=1S/C18H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3

1.8 InChkey: VDRWNKIQBYUKGD-UHFFFAOYSA-N

1.9 Canonical Smiles: CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl

1.10 Isomers Smiles: CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl

2. Properties

2.1 Storage: Moisture Sensitive. Ambient temperatures.

3. Safety and Handling

3.1 Sensitive: Moisture Sensitive

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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5. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

6. Synthesis Route

10147-41-8Total: 5 Synthesis Route

593-45-3 67 Suppliers

10147-41-8 3 Suppliers

6140-87-0

10147-41-8 3 Suppliers

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7. Precursor and Product

precursor:

6140-87-0

58821-59-3

3386-33-2

112096-11-4

593-45-3

product:

3386-33-2

13893-34-0

8. Computed Properties

Molecular Weight：353.002g/mol
Molecular Formula：C₁₈H₃₇ClO₂S
Compound Is Canonicalized：True
Exact Mass：9.2
XLogP3-AA：352.2202793
Monoisotopic Mass：352.2202793
Complexity：310
Rotatable Bond Count：17
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：42.5
Heavy Atom Count：：22
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcfB4MABEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAQAAAAACACEQACCAAAAAAIAAAAAAHBAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==