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Molecule
Tris(1,3-Dichloro-2-Propyl)Phosphate
CAS: 13674-87-8 · C9H15Cl6O4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13674-87-8
- Molecular Formula
- C9H15Cl6O4P
- Molecular Mass
- 430.91 g/mol
Identifiers
CAS Registry Number
13674-87-8
SMILES
O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl
InChI Key
ASLWPAWFJZFCKF-UHFFFAOYSA-N
InChI
InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2
Names and Synonyms
- Tris(1,3-Dichloro-2-Propyl)Phosphate Systematic Name
- 2-Propanol, 1,3-dichloro-, 2,2′,2′′-phosphate Synonym
- 2-Propanol, 1,3-dichloro-, phosphate (3:1) Synonym
- Tris(1,3-dichloroisopropyl) phosphate Synonym
- PF 38 Synonym
- Tris(1-chloromethyl-2-chloroethyl)phosphate Synonym
- Tris(1,3-dichloro-2-propyl) phosphate Synonym
- Fyrol FR 2 Synonym
- Tris[2-chloro-1-(chloromethyl)ethyl] phosphate Synonym
- TDCPP Synonym
- PF 38/3 Synonym
- CRP Synonym
- CRP (fireproofing agent) Synonym
- Antiblaze 195 Synonym
- FR 10 Synonym
- FR 10 (phosphate) Synonym
- 3PC-R Synonym
- Tri(1,3-dichloroisopropyl) phosphate Synonym
- WR 30LV Synonym
- Antiblaze WR 30LV Synonym
- Tris(1,3-dichloro-2-isopropyl)phosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 430.91 g/mol | CAS Common Chemistry |
| 430.90700000000004 g/mol | RDKit | |
| 430.907 g/mol | RDKit | |
| 430.889 g/mol | chempirical lib | |
| Density | 148.00 g/cm³ | CAS Common Chemistry |
| 148 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(1,3-dichloro-2-propyl)phosphate | CAS Common Chemistry |
| Canonical SMILES | O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ASLWPAWFJZFCKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 27 °C | CAS Common Chemistry |
| Name | Tris(1,3-dichloro-2-propyl) phosphate | CAS Common Chemistry |
| Tris(1,3-dichloro-2-propyl)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 |
| 44.76 Ų | RDKit | |
| LogP | 4.682900000000004 | RDKit |
| 4.6829 | RDKit | |
| Molar Refractivity | 86.54550000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 427.88391167 g/mol | RDKit |
| Boiling Point | 236-237 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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 = 430.91 g/mol; density = 148.000 g/mL. Edit any field — others recompute live.
