Back to Search
1,2-Dibromo-3-Chloropropane
CAS: 96-12-8 | C3H5Br2Cl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-12-8
Molecular Formula:
C3H5Br2Cl
Molecular Mass:
236.33 g/mol
Names and Synonyms:
1,2-Dibromo-3-Chloropropane
Propane, 1,2-dibromo-3-chloro-
1,2-Dibromo-3-chloropropane
OS 1897
Nemafume
Fumazone
Nemagon
Nemagon Soil Fumigant
Nemapaz
Nemazon
DBCP
Nemagon 90
Nemagon 20
Nemagon 20G
Dibromochloropropane
3-Chloro-1,2-dibromopropane
1-Chloro-2,3-dibromopropane
NSC 1512
Identifiers:
SMILES:
ClCC(Br)CBr
InChI:
InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
Key Properties
Boiling Point
164.5 °C @ Press: 300 Torr
CAS Common Chemistry
Melting Point
5 °C
CAS Common Chemistry
Density
2.08 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 | 236.33 g/mol | CAS Common Chemistry |
| 236.33399999999997 g/mol | RDKit | |
| 233.84465204 g/mol | RDKit | |
| Density | 2.08 g/cm³ | CAS Common Chemistry |
| 2.08 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Dibromo-3-chloropropane | CAS Common Chemistry |
| Boiling Point | 164.5 °C @ Press: 300 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCC(Br)CBr | CAS Common Chemistry |
| InChI | InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WBEJYOJJBDISQU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 5 °C | CAS Common Chemistry |
| Name | 1,2-Dibromo-3-chloropropane | 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 | 2.3836000000000004 | RDKit |
| Molar Refractivity | 37.229000000000006 | RDKit |
