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Tris(1,3-Dichloro-2-Propyl)Phosphate
CAS: 13674-87-8 | C9H15Cl6O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13674-87-8
Molecular Formula:
C9H15Cl6O4P
Molecular Mass:
430.91 g/mol
Names and Synonyms:
Tris(1,3-Dichloro-2-Propyl)Phosphate
2-Propanol, 1,3-dichloro-, 2,2′,2′′-phosphate
2-Propanol, 1,3-dichloro-, phosphate (3:1)
Tris(1,3-dichloroisopropyl) phosphate
PF 38
Tris(1-chloromethyl-2-chloroethyl)phosphate
Tris(1,3-dichloro-2-propyl) phosphate
Fyrol FR 2
Tris[2-chloro-1-(chloromethyl)ethyl] phosphate
TDCPP
PF 38/3
CRP
CRP (fireproofing agent)
Antiblaze 195
FR 10
FR 10 (phosphate)
3PC-R
Tri(1,3-dichloroisopropyl) phosphate
WR 30LV
Antiblaze WR 30LV
Tris(1,3-dichloro-2-isopropyl)phosphate
Identifiers:
SMILES:
O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl
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
Key Properties
Boiling Point
236-237 °C @ Press: 5 Torr
CAS Common Chemistry
Melting Point
27 °C
CAS Common Chemistry
Density
148.00 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 | 430.91 g/mol | CAS Common Chemistry |
| 430.90700000000004 g/mol | RDKit | |
| 427.88391167 g/mol | RDKit | |
| Density | 148.00 g/cm³ | CAS Common Chemistry |
| 148 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(1,3-dichloro-2-propyl)phosphate | CAS Common Chemistry |
| Boiling Point | 236-237 °C @ Press: 5 Torr | 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 |
| LogP | 4.682900000000004 | RDKit |
| Molar Refractivity | 86.54550000000003 | RDKit |
