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Molecule
Bis(2-Chloro-1-Methylethyl) Ether
CAS: 108-60-1 · C6H12Cl2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 108-60-1
- Molecular Formula
- C6H12Cl2O
- Molecular Mass
- 171.07 g/mol
Identifiers
CAS Registry Number
108-60-1
SMILES
CC(CCl)OC(C)CCl
InChI Key
QCFYJCYNJLBDRT-UHFFFAOYSA-N
InChI
InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3
Names and Synonyms
- Bis(2-Chloro-1-Methylethyl) Ether Common Name
- Propane, 2,2′-oxybis[1-chloro- Synonym
- Ether, bis(2-chloro-1-methylethyl) Synonym
- 2,2′-Oxybis[1-chloropropane] Synonym
- 2,2′-Dichlorodiisopropyl ether Synonym
- Bis(2-chloro-1-methylethyl) ether Synonym
- β,β′-Dichlorodiisopropyl ether Synonym
- DCIP (nematocide) Synonym
- DCIP Synonym
- Bis(1-chloro-2-propyl) ether Synonym
- NSC 2849 Synonym
- Nemamort Synonym
- 1-Chloro-2-[(1-chloropropan-2-yl)oxy]propane Synonym
- 1-Chloro-2-(1-chloropropan-2-yloxy)propane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.07 g/mol | CAS Common Chemistry |
| 171.06699999999998 g/mol | RDKit | |
| 171.067 g/mol | RDKit | |
| 171.061 g/mol | chempirical lib | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.103 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | ClCC(OC(C)CCl)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QCFYJCYNJLBDRT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -101.8--96.8 °C | CAS Common Chemistry |
| Name | Bis(2-chloro-1-methylethyl) ether | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.2576 | RDKit |
| Molar Refractivity | 41.44900000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 170.026520364 g/mol | RDKit |
| Boiling Point | 187 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
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 |
|---|
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 = 171.07 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
