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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
Names and Synonyms:
2-Naphthoyl Chloride
2-Naphthalenecarbonyl chloride
2-Naphthoyl chloride
β-Naphthoyl chloride
β-Naphthalenecarbonyl chloride
2-Naphthoic chloride
2-(Chlorocarbonyl)naphthalene
2-Naphthalenecarboxylic acid chloride
2-Naphthoic acid chloride
NSC 9842
Naphthalen-2-carbonyl chloride
Identifiers:
SMILES:
O=C(Cl)c1ccc2ccccc2c1
InChI:
InChI=1S/C11H7ClO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
Key Properties
Boiling Point
305 °C
CAS Common Chemistry
Melting Point
51 °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 | 190.63 g/mol | CAS Common Chemistry |
| 190.629 g/mol | RDKit | |
| 190.018542524 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 54.131500000000024 | RDKit |
