Tris(1,3-Dichloro-2-Propyl)Phosphate
Product Information
Molecular Formula
C9H15Cl6O4P
Molecular Weight
430.91
Description
Tris(1,3-dichloro-2-propyl)phosphate is a clear colorless viscous liquid. Generally a super-cooled liquid at room temperature but may occasionally solidify when held at low temperatures for prolonged periods.
Synonyms
1,3-Dichloro-2-propanol phosphate (3:1); 1,3-dichloro-2-propanolphosphate(3:1); 1,3-dichloro-2-propanophosphate(3:1); 2-Propanol, 1,3-dichloro-, phosphate (3:1); 2-propanol,1,3-dichloro,phosphate(3:1); 2-Propanol,1,3-dichloro-,phosphate(3:1)
IUPAC Name
tris(1,3-dichloropropan-2-yl) phosphate
SMILES
C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl
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
InChI Key
ASLWPAWFJZFCKF-UHFFFAOYSA-N
Boiling Point
315°C
Melting Point
-64°C
Flash Point
249 °C
Purity
>95.0%(GC)
Density
1.512
Solubility
less than 1 mg/mL at 75 °F
Appearance
Clear colorless viscous liquid. Generally a super-cooled liquid at room temperature but may occasionally solidify when held at low temperatures for prolonged periods.
Application
Used as a flame retardant (plastics, flexible urethane foams, and textile backcoatings) and plasticizer.
Storage
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Refractive Index
1.5
Stability
Resistant to chlorination in aqueous soln
LogP
log Kow = 3.65
Vapor Pressure
10.3 mmHg at 77 °F
Henry's Law Constant
2.61X10-9 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition, it emits toxic fumes of /hydrogen chloride.
Odor
Mild odor
Safety Information
Hazards
H302:
Harmful if swallowed.
H351:
Suspected of causing cancer.
H372:
Causes damage to organs through prolonged or repeated exposure.
H410:
Very toxic to aquatic life with long-lasting effects.
Harmful if swallowed.
H351:
Suspected of causing cancer.
H372:
Causes damage to organs through prolonged or repeated exposure.
H410:
Very toxic to aquatic life with long-lasting effects.
Precautionary Statement
P201:
Obtain special instructions before use.
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P391:
Collect spillage.
Obtain special instructions before use.
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P391:
Collect spillage.
Signal Word
Danger
Computed Properties
XLogP3
3.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
12
Exact Mass
429.880962 g/mol
Monoisotopic Mass
427.883912 g/mol
Topological Polar Surface Area
44.8Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
243
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114114300-A | Scattered point redistribution distance measuring device and laser detection system | 2022-01-25 |
| CN-114137191-A | Multifunctional electrode array system for cell biochemical signal detection and regulation | 2021-12-29 |
| CN-114106433-A | High-performance rubber conveyer belt covering rubber and preparation method thereof | 2021-12-17 |
| CN-114085588-A | Allyl polyoxyethylene ether phosphate modified acrylic resin water-based paint | 2021-12-15 |
| CN-114101320-A | Method for repairing tris (1-chloro-2-propyl) phosphate contaminated soil by utilizing gramineous ryegrass | 2021-12-08 |
| CN-114101321-A | Method for absorbing and degrading tri (1-chloro-2-propyl) phosphate in soil by using vetch of leguminous plant | 2021-12-08 |
| CN-114068512-A | Semiconductor device and semiconductor chip | 2021-11-18 |
| CN-114185057-A | Detection method, device and terminal | 2021-11-10 |
| CN-113970609-A | LC-MS/MS analysis method for sediment organic phosphate and metabolite | 2021-11-02 |
| CN-113999755-A | Aerobic microorganism liquid fermentation device | 2021-11-02 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 36115506 | 2022-11-01 | Chlorinated organophosphorus flame retardants-induced mitochondrial abnormalities and the correlation with progesterone production in mLTC-1 cells | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
| 33049310 | 2021-04-01 | Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment | Toxicology in vitro : an international journal published in association with BIBRA |
| 33367866 | 2021-02-26 | Effects of an Environmentally Relevant Mixture of Organophosphate Esters Derived From House Dust on Endochondral Ossification in Murine Limb Bud Cultures | Toxicological sciences : an official journal of the Society of Toxicology |
| 32360330 | 2020-06-01 | Sex- and age-dependent effects of maternal organophosphate flame-retardant exposure on neonatal hypothalamic and hepatic gene expression | Reproductive toxicology (Elmsford, N.Y.) |
| 31894355 | 2020-02-01 | Neonatal exposure to organophosphorus flame retardant TDCPP elicits neurotoxicity in mouse hippocampus via microglia-mediated inflammation in vivo and in vitro | Archives of toxicology |
| 31731001 | 2020-01-01 | Early-life exposure to the organophosphorus flame-retardant tris (1,3-dichloro-2-propyl) phosphate induces delayed neurotoxicity associated with DNA methylation in adult zebrafish | Environment international |
| 31398778 | 2019-10-30 | Tris(1,3-dichloro-2-propyl)phosphate (TDCIPP) disrupts zebrafish tail fin development | Ecotoxicology and environmental safety |
| 31385694 | 2019-09-03 | Complex Interplay Among Nuclear Receptor Ligands, Cytosine Methylation, and the Metabolome in Driving Tris(1,3-dichloro-2-propyl)phosphate-Induced Epiboly Defects in Zebrafish | Environmental science & technology |
| 30966736 | 2019-06-17 | Organophosphorus Flame Retardants Impair Intracellular Lipid Metabolic Function in Human Hepatocellular Cells | Chemical research in toxicology |
| 30176492 | 2019-02-01 | Global microRNA and isomiR expression associated with liver metabolism is induced by organophosphorus flame retardant exposure in male Chinese rare minnow (Gobiocypris rarus) | The Science of the total environment |
