Back to Search
Glutaryl Chloride
CAS: 2873-74-7 | C5H6Cl2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2873-74-7
Molecular Formula:
C5H6Cl2O2
Molecular Mass:
169.01 g/mol
Names and Synonyms:
Glutaryl Chloride
Pentanedioyl dichloride
Glutaryl chloride
Glutaric acid dichloride
Glutaroyl chloride
Glutaryl dichloride
1,3-Bis(Chlorocarbonyl)propane
Glutaroyl dichloride
NSC 519867
5-Chloro-5-oxopentanoyl chloride
1,5-Pentanedioyl chloride
Identifiers:
SMILES:
O=C(Cl)CCCC(=O)Cl
InChI:
InChI=1S/C5H6Cl2O2/c6-4(8)2-1-3-5(7)9/h1-3H2
Key Properties
Boiling Point
217 °C
CAS Common Chemistry
Density
1.47 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 | 169.01 g/mol | CAS Common Chemistry |
| 169.007 g/mol | RDKit | |
| 167.974484792 g/mol | RDKit | |
| Density | 1.47 g/cm³ | CAS Common Chemistry |
| 1.4730 g/cm3 @ Temp: 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 |
| Glutaryl chloride | 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 | RDKit |
