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Dibutyldichlorogermane
CAS: 4593-81-1 | C8H18Cl2Ge
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4593-81-1
Molecular Formula:
C8H18Cl2Ge
Molecular Mass:
257.75 g/mol
Names and Synonyms:
Dibutyldichlorogermane
Germane, dibutyldichloro-
Dibutylgermanium dichloride
Dibutyldichlorogermane
Dichlorodibutylgermane
Di-n-butylgermanedichloride
Dibutyldichlorogermanium
NSC 166300
Identifiers:
SMILES:
CCCC[Ge](Cl)(Cl)CCCC
InChI:
InChI=1S/C8H18Cl2Ge/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3
Key Properties
Boiling Point
242 °C
CAS Common Chemistry
Density
1.21 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 | 257.75 g/mol | CAS Common Chemistry |
| 257.74799999999993 g/mol | RDKit | |
| 257.999733736 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.208 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 242 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Ge](Cl)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18Cl2Ge/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VKMPTHGEGBKPBQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dibutyldichlorogermane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.506400000000004 | RDKit |
| Molar Refractivity | 56.89000000000004 | RDKit |
