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2-Furoyl Chloride
CAS: 527-69-5 | C5H3ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
527-69-5
Molecular Formula:
C5H3ClO2
Molecular Mass:
130.53 g/mol
Names and Synonyms:
2-Furoyl Chloride
2-Furancarbonyl chloride
2-Furoyl chloride
α-Furoic chloride
Pyromucyl chloride
2-(Chlorocarbonyl)furan
2-Furancarboxylic acid chloride
2-(Chloroformyl)furan
2-Furoic acid chloride
Furan-2-carboxylic chloride
2-Furanoyl chloride
2-Furylcarbonyl chloride
2-Furoic chloride
2-Furanylcarbonyl chloride
2-Furanoic acid chloride
Furan-2-carbonyl chloride
Identifiers:
SMILES:
O=C(Cl)c1ccco1
InChI:
InChI=1S/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3H
Key Properties
Boiling Point
173 °C
CAS Common Chemistry
Melting Point
-2 °C
CAS Common Chemistry
Density
1.32 g/cm³
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 | 130.53 g/mol | CAS Common Chemistry |
| 130.52999999999997 g/mol | RDKit | |
| 129.982157016 g/mol | RDKit | |
| Density | 1.32 g/cm³ | CAS Common Chemistry |
| 1.3227 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Furoyl_chloride | CAS Common Chemistry |
| Boiling Point | 173 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)C=1OC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3H | CAS Common Chemistry |
| InChI Key | InChIKey=OFTKFKYVSBNYEC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -2 °C | CAS Common Chemistry |
| Name | 2-Furancarbonyl chloride | CAS Common Chemistry |
| 2-Furoyl chloride | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 30.21 Ų | RDKit |
| LogP | 1.6586 | RDKit |
| Molar Refractivity | 28.891499999999997 | RDKit |
