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Molecule
1,1,2,3-Tetrachloro-1-Propene
CAS: 10436-39-2 · C3H2Cl4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10436-39-2
- Molecular Formula
- C3H2Cl4
- Molecular Mass
- 179.86 g/mol
Identifiers
CAS Registry Number
10436-39-2
SMILES
ClCC(Cl)=C(Cl)Cl
InChI Key
UMGQVBVEWTXECF-UHFFFAOYSA-N
InChI
InChI=1S/C3H2Cl4/c4-1-2(5)3(6)7/h1H2
Names and Synonyms
- 1,1,2,3-Tetrachloro-1-Propene Systematic Name
- 1-Propene, 1,1,2,3-tetrachloro- Synonym
- Propene, 1,1,2,3-tetrachloro- Synonym
- 1,1,2,3-Tetrachloro-1-propene Synonym
- 1,1,2,3-Tetrachloropropene Synonym
- 2,3,3-Trichloroallyl chloride Synonym
- HCO 1230xa Synonym
- HCO 1230 Synonym
- HCC 1230xa Synonym
- 1230xa Synonym
- Genetron 123 Synonym
- HCC-1230xa Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 179.86 g/mol | CAS Common Chemistry |
| 179.86100000000002 g/mol | RDKit | |
| 179.861 g/mol | RDKit | |
| 179.849 g/mol | chempirical lib | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.5409 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | ClC(Cl)=C(Cl)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C3H2Cl4/c4-1-2(5)3(6)7/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UMGQVBVEWTXECF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2,3-Tetrachloro-1-propene | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.1107000000000005 | RDKit |
| 3.1107 | RDKit | |
| 3.33 | chempirical lib | |
| Molar Refractivity | 35.30500000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 177.891060784 g/mol | RDKit |
| Boiling Point | 68-69 °C @ 30 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 179.86 g/mol; density = 1.540 g/mL. Edit any field — others recompute live.
