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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
Names and Synonyms:
Bis(2-Chloro-1-Methylethyl) Ether
Propane, 2,2′-oxybis[1-chloro-
Ether, bis(2-chloro-1-methylethyl)
2,2′-Oxybis[1-chloropropane]
2,2′-Dichlorodiisopropyl ether
Bis(2-chloro-1-methylethyl) ether
β,β′-Dichlorodiisopropyl ether
DCIP (nematocide)
DCIP
Bis(1-chloro-2-propyl) ether
NSC 2849
Nemamort
1-Chloro-2-[(1-chloropropan-2-yl)oxy]propane
1-Chloro-2-(1-chloropropan-2-yloxy)propane
Identifiers:
SMILES:
CC(CCl)OC(C)CCl
InChI:
InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3
Key Properties
Boiling Point
187 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-101.8--96.8 °C
CAS Common Chemistry
Density
1.10 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 | 171.07 g/mol | CAS Common Chemistry |
| 171.06699999999998 g/mol | RDKit | |
| 170.026520364 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.103 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 187 °C @ Press: 760 Torr | 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 | RDKit |
