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Molecule
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
Identifiers
CAS Registry Number
17134-17-7
SMILES
O=C(Cl)OCCOCCOCCOC(=O)Cl
InChI Key
IFOIGJKHVZBFPR-UHFFFAOYSA-N
InChI
InChI=1S/C8H12Cl2O6/c9-7(11)15-5-3-13-1-2-14-4-6-16-8(10)12/h1-6H2
Names and Synonyms
- C,C′-[1,2-Ethanediylbis(Oxy-2,1-Ethanediyl)] Dicarbonochloridate Systematic Name
- Carbonochloridic acid, C,C′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester Synonym
- Carbonochloridic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester Synonym
- C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate Synonym
- 1,8-Bis[(chlorocarbonyl)oxy]-3,6-dioxaoctane Synonym
- Triethylene glycol bis(chloroformate) Synonym
- 2-[2-(2-Carbonochloridoyloxyethoxy)ethoxy]ethyl carbonochloridate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 275.08 g/mol | CAS Common Chemistry |
| 275.08399999999995 g/mol | RDKit | |
| 275.084 g/mol | RDKit | |
| 275.078 g/mol | chempirical lib | |
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.34 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 274.001093464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 275.08 g/mol; density = 1.340 g/mL. Edit any field — others recompute live.
