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Tris(2,3-Dibromopropyl) Phosphate
CAS: 126-72-7 | C9H15Br6O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
126-72-7
Molecular Formula:
C9H15Br6O4P
Molecular Mass:
697.61 g/mol
Names and Synonyms:
Tris(2,3-Dibromopropyl) Phosphate
1-Propanol, 2,3-dibromo-, 1,1′,1′′-phosphate
1-Propanol, 2,3-dibromo-, phosphate (3:1)
Phosphoric acid, tris(2,3-dibromopropyl) ester
Tris(2,3-dibromopropyl) phosphate
FireMaster T 23P
T 23P
Apex 462-5
FireMaster LV-T 23P
Zetofex ZN
ES 685
Flammex AP
Flammex T 23P
Bromkal P 67-6HP
Fyrol HB 32
Tris
Tris (flame retardant)
TDBPP
Phoscon PE 60
3PBR
Flammex LV-T 23P
Phoscon UF-S
FireMaster T 23
Phoscon FR 150
NSC 3240
Unflame 3PB
Identifiers:
SMILES:
O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr
InChI:
InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2
Key Properties
Melting Point
5.5 °C
CAS Common Chemistry
Density
2.27 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 | 697.61 g/mol | CAS Common Chemistry |
| 697.613 g/mol | RDKit | |
| 691.58081819 g/mol | RDKit | |
| Density | 2.27 g/cm³ | CAS Common Chemistry |
| 2.27 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(2,3-dibromopropyl)_phosphate | CAS Common Chemistry |
| Canonical SMILES | O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr | CAS Common Chemistry |
| InChI | InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PQYJRMFWJJONBO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 5.5 °C | CAS Common Chemistry |
| Name | Tris | CAS Common Chemistry |
| Tris(2,3-dibromopropyl) phosphate | CAS Common Chemistry | |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| LogP | 5.619500000000003 | RDKit |
| Molar Refractivity | 104.98950000000004 | RDKit |
