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Molecule
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
Identifiers
CAS Registry Number
19186-97-1
SMILES
O=P(OCC(CBr)(CBr)CBr)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr
InChI Key
BHYQWBKCXBXPKM-UHFFFAOYSA-N
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
Names and Synonyms
- Tris(Tribromoneopentyl) Phosphate Common Name
- 1-Propanol, 3-bromo-2,2-bis(bromomethyl)-, 1,1′,1′′-phosphate Synonym
- Reoflam FR 370 Synonym
- TexFRon 3000 Synonym
- FR 680 Synonym
- SR 370 Synonym
- 1-Propanol, 3-bromo-2,2-bis(bromomethyl)-, phosphate (3:1) Synonym
- Tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate Synonym
- Tris[2,2-bis(bromomethyl)-3-bromopropyl] phosphate Synonym
- CR 900 Synonym
- Tris(tribromoneopentyl) phosphate Synonym
- Flame Cut 175R Synonym
- TPB 3070 Synonym
- Flame Cut 175 Synonym
- Kronitex PB 370 Synonym
- PB 370 Synonym
- FR 370 Synonym
- FR 372 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1018.46 g/mol | CAS Common Chemistry |
| 1018.4629999999997 g/mol | RDKit | |
| 1018.463 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 |
| 44.76 Ų | RDKit | |
| LogP | 8.6576 | RDKit |
| Molar Refractivity | 156.90749999999971 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 1009.4062547780002 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.
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MW = 1018.46 g/mol. Edit any field — others recompute live.
