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1,4-Bis(Bromomethyl)Benzene
CAS: 623-24-5 | C8H8Br2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
623-24-5
Molecular Formula:
C8H8Br2
Molecular Mass:
263.96 g/mol
Names and Synonyms:
1,4-Bis(Bromomethyl)Benzene
p-Di(bromomethyl)benzene
Benzene, 1,4-bis(bromomethyl)-
p-Xylene, α,α′-dibromo-
1,4-Bis(bromomethyl)benzene
p-Xylylene dibromide
1,4-Di(bromomethyl)benzene
α,α′-Dibromo-p-xylene
p-Bis(bromomethyl)benzene
p-Xylylene bromide
α,α′-p-Xylene dibromide
α,α′-Dibromo-p-xylene
1,4-Xylylene dibromide
4-Bromomethylbenzyl bromide
NSC 6226
Identifiers:
SMILES:
BrCc1ccc(CBr)cc1
InChI:
InChI=1S/C8H8Br2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2
Key Properties
Boiling Point
245 °C
CAS Common Chemistry
Melting Point
144.5 °C
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 | 263.96 g/mol | CAS Common Chemistry |
| 261.899274456 g/mol | RDKit | |
| Boiling Point | 245 °C | CAS Common Chemistry |
| Canonical SMILES | BrCC1=CC=C(C=C1)CBr | CAS Common Chemistry |
| InChI | InChI=1S/C8H8Br2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RBZMSGOBSOCYHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144.5 °C | CAS Common Chemistry |
| Name | 1,4-Bis(bromomethyl)benzene | 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 | 3.4764000000000017 | RDKit |
| Molar Refractivity | 51.70400000000002 | RDKit |
