一-オクタデシルクロリド

1. 名前と識別子

1.2 シノニム: 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;

1.7 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

2. MSDS情報

Not classified.

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

none

3. NMR スペクトル

13C NMR : Predict

1H NMR : Predict

4. 合成路線

10147-41-8Total: 5 合成路線

593-45-3 67 しいれ業者

10147-41-8 3 しいれ業者

6140-87-0

10147-41-8 3 しいれ業者

5. 前駆体と製品

上位製品:

6140-87-0

58821-59-3

3386-33-2

112096-11-4

593-45-3

下流製品:

3386-33-2

13893-34-0

6. 計算化学データ

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==