Back to Search
Molecule
Tris(2-Chloroisopropyl) Phosphate
CAS: 13674-84-5 · C9H18Cl3O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13674-84-5
- Molecular Formula
- C9H18Cl3O4P
- Molecular Mass
- 327.57 g/mol
Identifiers
CAS Registry Number
13674-84-5
SMILES
CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
InChI Key
KVMPUXDNESXNOH-UHFFFAOYSA-N
InChI
InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3
Names and Synonyms
- Tris(2-Chloroisopropyl) Phosphate Common Name
- 2-Propanol, 1-chloro-, 2,2′,2′′-phosphate Synonym
- 2-Propanol, 1-chloro-, phosphate (3:1) Synonym
- Tris(1-chloro-2-propyl) phosphate Synonym
- Tris(1-methyl-2-chloroethyl) phosphate Synonym
- Amgard TMCP Synonym
- Tris(chloroisopropyl) phosphate Synonym
- Hostaflam OP 820 Synonym
- Tris(2-chloro-1-methylethyl) phosphate Synonym
- TCPP Synonym
- Daltoguard F Synonym
- Tris(β-chloroisopropyl) phosphate Synonym
- Tris(2-chloroisopropyl) phosphate Synonym
- Levagard PP Synonym
- Tolgard TMCP Synonym
- Fyrol PCF Synonym
- Antiblaze 80 Synonym
- Antiblaze TMCP Synonym
- PUMA 4010 Synonym
- Levagard PP-Z Synonym
- Phireguard TCPP Synonym
- Levagard TCPP Synonym
- WSFR-TCPP Synonym
- Yoke TCPP Synonym
- TMPCC Synonym
- Tris(1-chloro-2-isopropyl)phosphate Synonym
- Levagard PP 2 Synonym
- PC 1389 Synonym
- ProFlame PC 1389 Synonym
- BS 5852 Synonym
- Antiblaze AB 80 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 327.57 g/mol | CAS Common Chemistry |
| 327.572 g/mol | RDKit | |
| 327.563 g/mol | chempirical lib | |
| Density | 1.29 g/cm³ | CAS Common Chemistry |
| 1.2885 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | >270 °C | CAS Common Chemistry |
| Canonical SMILES | O=P(OC(C)CCl)(OC(C)CCl)OC(C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KVMPUXDNESXNOH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -40 °C | CAS Common Chemistry |
| Name | Tris(2-chloroisopropyl) phosphate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| 44.76 Ų | RDKit | |
| LogP | 4.026200000000004 | RDKit |
| 4.0262 | RDKit | |
| Molar Refractivity | 71.40750000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 326.000828726 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.
External Resources
Convert
Quick conversion
MW = 327.57 g/mol; density = 1.290 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H18Cl3O4P.
