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Molecule
2-Furoyl Chloride
CAS: 527-69-5 · C5H3ClO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 527-69-5
- Molecular Formula
- C5H3ClO2
- Molecular Mass
- 130.53 g/mol
Identifiers
CAS Registry Number
527-69-5
SMILES
O=C(Cl)c1ccco1
InChI Key
OFTKFKYVSBNYEC-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3H
Names and Synonyms
- 2-Furoyl Chloride Synonym
- 2-Furancarbonyl chloride Synonym
- 2-Furoyl chloride Synonym
- α-Furoic chloride Synonym
- Pyromucyl chloride Synonym
- 2-(Chlorocarbonyl)furan Synonym
- 2-Furancarboxylic acid chloride Synonym
- 2-(Chloroformyl)furan Synonym
- 2-Furoic acid chloride Synonym
- Furan-2-carboxylic chloride Synonym
- 2-Furanoyl chloride Synonym
- 2-Furylcarbonyl chloride Synonym
- 2-Furoic chloride Synonym
- 2-Furanylcarbonyl chloride Synonym
- 2-Furanoic acid chloride Synonym
- Furan-2-carbonyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.53 g/mol | CAS Common Chemistry |
| 130.52999999999997 g/mol | RDKit | |
| Density | 1.32 g/cm³ | CAS Common Chemistry |
| 1.3227 g/cm3 @ 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 |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 129.982157016 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
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20
0 ppm
| 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 = 130.53 g/mol; density = 1.320 g/mL. Edit any field — others recompute live.
