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Tris(Tribromoneopentyl) Phosphate
CAS: 19186-97-1 | C15H24Br9O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19186-97-1
Molecular Formula:
C15H24Br9O4P
Molecular Mass:
1018.46 g/mol
Names and Synonyms:
Tris(Tribromoneopentyl) Phosphate
1-Propanol, 3-bromo-2,2-bis(bromomethyl)-, 1,1′,1′′-phosphate
Reoflam FR 370
TexFRon 3000
FR 680
SR 370
1-Propanol, 3-bromo-2,2-bis(bromomethyl)-, phosphate (3:1)
Tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate
Tris[2,2-bis(bromomethyl)-3-bromopropyl] phosphate
CR 900
Tris(tribromoneopentyl) phosphate
Flame Cut 175R
TPB 3070
Flame Cut 175
Kronitex PB 370
PB 370
FR 370
FR 372
Identifiers:
SMILES:
O=P(OCC(CBr)(CBr)CBr)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr
InChI:
InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2
Key Properties
Melting Point
172-173 °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 | 1018.46 g/mol | CAS Common Chemistry |
| 1018.4629999999997 g/mol | RDKit | |
| 1009.4062547780002 g/mol | RDKit | |
| Canonical SMILES | O=P(OCC(CBr)(CBr)CBr)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr | CAS Common Chemistry |
| InChI | InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BHYQWBKCXBXPKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 172-173 °C | CAS Common Chemistry |
| Name | Tris(tribromoneopentyl) phosphate | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| LogP | 8.6576 | RDKit |
| Molar Refractivity | 156.90749999999971 | RDKit |
