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
Canonical 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.
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.
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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