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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
Names and Synonyms:
Tris(2-Chloroisopropyl) Phosphate
2-Propanol, 1-chloro-, 2,2′,2′′-phosphate
2-Propanol, 1-chloro-, phosphate (3:1)
Tris(1-chloro-2-propyl) phosphate
Tris(1-methyl-2-chloroethyl) phosphate
Amgard TMCP
Tris(chloroisopropyl) phosphate
Hostaflam OP 820
Tris(2-chloro-1-methylethyl) phosphate
TCPP
Daltoguard F
Tris(β-chloroisopropyl) phosphate
Tris(2-chloroisopropyl) phosphate
Levagard PP
Tolgard TMCP
Fyrol PCF
Antiblaze 80
Antiblaze TMCP
PUMA 4010
Levagard PP-Z
Phireguard TCPP
Levagard TCPP
WSFR-TCPP
Yoke TCPP
TMPCC
Tris(1-chloro-2-isopropyl)phosphate
Levagard PP 2
PC 1389
ProFlame PC 1389
BS 5852
Antiblaze AB 80
Identifiers:
SMILES:
CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
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
Key Properties
Boiling Point
>270 °C
CAS Common Chemistry
Melting Point
-40 °C
CAS Common Chemistry
Density
1.29 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 | 327.57 g/mol | CAS Common Chemistry |
| 327.572 g/mol | RDKit | |
| 326.000828726 g/mol | RDKit | |
| Density | 1.29 g/cm³ | CAS Common Chemistry |
| 1.2885 g/cm3 @ Temp: 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 |
| LogP | 4.026200000000004 | RDKit |
| Molar Refractivity | 71.40750000000004 | RDKit |
