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C,C′-[1,2-Ethanediylbis(Oxy-2,1-Ethanediyl)] Dicarbonochloridate
CAS: 17134-17-7 | C8H12Cl2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17134-17-7
Molecular Formula:
C8H12Cl2O6
Molecular Mass:
275.08 g/mol
Names and Synonyms:
C,C′-[1,2-Ethanediylbis(Oxy-2,1-Ethanediyl)] Dicarbonochloridate
Carbonochloridic acid, C,C′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester
Carbonochloridic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester
C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate
1,8-Bis[(chlorocarbonyl)oxy]-3,6-dioxaoctane
Triethylene glycol bis(chloroformate)
2-[2-(2-Carbonochloridoyloxyethoxy)ethoxy]ethyl carbonochloridate
Identifiers:
SMILES:
O=C(Cl)OCCOCCOCCOC(=O)Cl
InChI:
InChI=1S/C8H12Cl2O6/c9-7(11)15-5-3-13-1-2-14-4-6-16-8(10)12/h1-6H2
Key Properties
Density
1.34 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 | 275.08 g/mol | CAS Common Chemistry |
| 275.08399999999995 g/mol | RDKit | |
| 274.001093464 g/mol | RDKit | |
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.34 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(Cl)OCCOCCOCCOC(=O)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C8H12Cl2O6/c9-7(11)15-5-3-13-1-2-14-4-6-16-8(10)12/h1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IFOIGJKHVZBFPR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.06 Ų | RDKit |
| LogP | 1.7704 | RDKit |
| Molar Refractivity | 56.04000000000003 | RDKit |
