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Molecule
Glutaryl Chloride
CAS: 2873-74-7 · C5H6Cl2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2873-74-7
- Molecular Formula
- C5H6Cl2O2
- Molecular Mass
- 169.01 g/mol
Identifiers
CAS Registry Number
2873-74-7
SMILES
O=C(Cl)CCCC(=O)Cl
InChI Key
YVOFTMXWTWHRBH-UHFFFAOYSA-N
InChI
InChI=1S/C5H6Cl2O2/c6-4(8)2-1-3-5(7)9/h1-3H2
Names and Synonyms
- Glutaryl Chloride Common Name
- Pentanedioyl dichloride Synonym
- Glutaryl chloride Synonym
- Glutaric acid dichloride Synonym
- Glutaroyl chloride Synonym
- Glutaryl dichloride Synonym
- 1,3-Bis(Chlorocarbonyl)propane Synonym
- Glutaroyl dichloride Synonym
- NSC 519867 Synonym
- 5-Chloro-5-oxopentanoyl chloride Synonym
- 1,5-Pentanedioyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.01 g/mol | CAS Common Chemistry |
| 169.007 g/mol | RDKit | |
| 169.001 g/mol | chempirical lib | |
| Density | 1.47 g/cm³ | CAS Common Chemistry |
| 1.4730 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glutaryl_chloride | CAS Common Chemistry |
| Boiling Point | 217 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)CCCC(=O)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C5H6Cl2O2/c6-4(8)2-1-3-5(7)9/h1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YVOFTMXWTWHRBH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Glutaryl dichloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 1.6875 | RDKit |
| Molar Refractivity | 35.571000000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 167.974484792 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
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 = 169.01 g/mol; density = 1.470 g/mL. Edit any field — others recompute live.
