Back to Search
Molecule
Α,Α′-Dichloro-O-Xylene
CAS: 612-12-4 · C8H8Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 612-12-4
- Molecular Formula
- C8H8Cl2
- Molecular Mass
- 175.06 g/mol
Identifiers
CAS Registry Number
612-12-4
SMILES
ClCc1ccccc1CCl
InChI Key
FMGGHNGKHRCJLL-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2
Names and Synonyms
- Α,Α′-Dichloro-O-Xylene Systematic Name
- Benzene, 1,2-bis(chloromethyl)- Synonym
- o-Xylene, α,α′-dichloro- Synonym
- 1,2-Bis(chloromethyl)benzene Synonym
- α,α′-Dichloro-o-xylene Synonym
- o-Xylylene dichloride Synonym
- o-Bis(chloromethyl)benzene Synonym
- o-Xylene-α,α′-dichloride Synonym
- NSC 71934 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 175.06 g/mol | CAS Common Chemistry |
| 175.05799999999996 g/mol | RDKit | |
| 175.058 g/mol | RDKit | |
| 175.052 g/mol | chempirical lib | |
| Density | 1.37 g/cm³ | CAS Common Chemistry |
| 1.37 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 239.5 °C | CAS Common Chemistry |
| Canonical SMILES | ClCC=1C=CC=CC1CCl | CAS Common Chemistry |
| InChI | InChI=1S/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FMGGHNGKHRCJLL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 55 °C | CAS Common Chemistry |
| Name | α,α′-Dichloro-o-xylene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.164200000000002 | RDKit |
| 3.1642 | RDKit | |
| 3.18 | chempirical lib | |
| Molar Refractivity | 45.55600000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 174.000305616 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 175.06 g/mol; density = 1.370 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8Cl2.
