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1,1-Bis(Chloromethyl)Ethylene
CAS: 1871-57-4 | C4H6Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1871-57-4
Molecular Formula:
C4H6Cl2
Molecular Mass:
125.00 g/mol
Names and Synonyms:
1,1-Bis(Chloromethyl)Ethylene
1-Propene, 3-chloro-2-(chloromethyl)-
Propene, 3-chloro-2-(chloromethyl)-
3-Chloro-2-(chloromethyl)-1-propene
2-Chloromethyl-3-chloropropene
3-Chloro-2-(chloromethyl)propene
2-Methylene-1,3-dichloropropane
1,3-Dichloro-2-methylenepropane
2-Methylenepropane-1,3-dichloride
1,1-Bis(chloromethyl)ethene
2-Chloromethyl-3-chloro-1-propene
2-(Chloromethyl)allyl chloride
2-Chloromethyl-2-propenyl chloride
NSC 88138
1,1-Bis(chloromethyl)ethylene
Identifiers:
SMILES:
C=C(CCl)CCl
InChI:
InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2
Key Properties
Boiling Point
138 °C
CAS Common Chemistry
Melting Point
-14 °C
CAS Common Chemistry
Density
1.18 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 | 125.00 g/mol | CAS Common Chemistry |
| 124.998 g/mol | RDKit | |
| 123.98465555199999 g/mol | RDKit | |
| Density | 1.18 g/cm³ | CAS Common Chemistry |
| 1.1782 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1-Bis(chloromethyl)ethylene | CAS Common Chemistry |
| Boiling Point | 138 °C | CAS Common Chemistry |
| Canonical SMILES | ClCC(=C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XJFZOSUFGSANIF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -14 °C | CAS Common Chemistry |
| Name | 3-Chloro-2-(chloromethyl)-1-propene | CAS Common Chemistry |
| 1,1-Bis(chloromethyl)ethylene | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.0202 | RDKit |
| Molar Refractivity | 30.57999999999999 | RDKit |
