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Lauroyl Chloride
CAS: 112-16-3 | C12H23ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-16-3
Molecular Formula:
C12H23ClO
Molecular Mass:
218.77 g/mol
Names and Synonyms:
Lauroyl Chloride
Dodecanoyl chloride
Lauroyl chloride
Lauric acid chloride
n-Dodecanoyl chloride
Dodecanoic acid chloride
Dodecanoic acid, anhydride with carbonochloridic acid
Identifiers:
SMILES:
CCCCCCCCCCCC(=O)Cl
InChI:
InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3
Key Properties
Boiling Point
145 °C @ Press: 18 Torr
CAS Common Chemistry
Melting Point
-17 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 218.77 g/mol | CAS Common Chemistry |
| 218.76799999999997 g/mol | RDKit | |
| 218.143743036 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lauroyl_chloride | CAS Common Chemistry |
| Boiling Point | 145 °C @ Press: 18 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NQGIJDNPUZEBRU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -17 °C | CAS Common Chemistry |
| Name | Dodecanoyl chloride | CAS Common Chemistry |
| Lauroyl chloride | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 4.672700000000004 | RDKit |
| Molar Refractivity | 62.70400000000005 | RDKit |
