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Molecule
2-Naphthoyl Chloride
CAS: 2243-83-6 · C11H7ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2243-83-6
- Molecular Formula
- C11H7ClO
- Molecular Mass
- 190.63 g/mol
Identifiers
CAS Registry Number
2243-83-6
SMILES
O=C(Cl)c1ccc2ccccc2c1
InChI Key
XNLBCXGRQWUJLU-UHFFFAOYSA-N
InChI
InChI=1S/C11H7ClO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
Names and Synonyms
- 2-Naphthoyl Chloride Systematic Name
- 2-Naphthalenecarbonyl chloride Synonym
- 2-Naphthoyl chloride Synonym
- β-Naphthoyl chloride Synonym
- β-Naphthalenecarbonyl chloride Synonym
- 2-Naphthoic chloride Synonym
- 2-(Chlorocarbonyl)naphthalene Synonym
- 2-Naphthalenecarboxylic acid chloride Synonym
- 2-Naphthoic acid chloride Synonym
- NSC 9842 Synonym
- Naphthalen-2-carbonyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.63 g/mol | CAS Common Chemistry |
| 190.629 g/mol | RDKit | |
| 190.626 g/mol | chempirical lib | |
| Boiling Point | 305 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)C=1C=CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H7ClO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H | CAS Common Chemistry |
| InChI Key | InChIKey=XNLBCXGRQWUJLU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 51 °C | CAS Common Chemistry |
| Name | 2-Naphthoyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.2188000000000008 | RDKit |
| 3.2188 | RDKit | |
| Molar Refractivity | 54.131500000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 190.018542524 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 190.63 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H7ClO.
