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| CAS No.: | 115-96-8 |
|---|---|
| Name: | Tris(2-chloroethyl) phosphate |
| Molecular Structure: | |
|
|
|
| Formula: | C6H12Cl3O4P |
| Molecular Weight: | 285.492 |
| Synonyms: | 3CF;AmgardTCEP;CEF;Celluflex CEF;Disflamoll TCA;Fyrol CEF;Fyrol CF;Genomoll P;NSC 3213;Niax 3CF;Niax Flame Retardant 3CF;Tri(chloroethyl) phosphate;Tri(b-chloroethyl) phosphate;Tris(2-chloroethyl)orthophosphate; |
| EINECS: | 204-118-5 |
| Density: | 1.392 g/cm3 |
| Melting Point: | -51 °C |
| Boiling Point: | 347.4 °C at 760 mmHg |
| Flash Point: | 232.2 °C |
| Solubility: | 7 g/L (20 °C ) in water |
| Appearance: | odorless clear liquid |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 22-40-51/53 |
| Safety: | 36/37-61 |
| Transport Information: | UN 2810 6.1/PG 3 |
| PSA: | 54.57000 |
| LogP: | 2.86070 |
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| Conditions | Yield |
|---|---|
| With trichlorophosphate at 10℃; for 2h; Autoclave; Reflux; | 99.2% |
| With titanium tetrachloride; trichlorophosphate at 50 - 65℃; for 9h; | 94% |
| With trichlorophosphate at 100℃; |
| Conditions | Yield |
|---|---|
| With trichlorophosphate 1.) 25-30 deg C, 3 h, 2.) 50-60 deg C, 6 h; | 91% |
| With trichlorophosphate at 25 - 40℃; | |
| With tetrachloromethane; trichlorophosphate bei Siedetemperatur; |
| Conditions | Yield |
|---|---|
| With potassium permanganate | |
| With chlorine; 2-chloro-ethanol | |
| With phosphoric acid In nitromethane |
| Conditions | Yield |
|---|---|
| With phosphoric acid; chlorine |
- 107-07-3
2-chloro-ethanol
- 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate
- 115-96-8
Tris(2-chloroethyl) phosphate
- 115-96-8
Tris(2-chloroethyl) phosphate
| Conditions | Yield |
|---|---|
| at 80℃; for 20h; | 100% |
- 302-17-0
chloral hydrate
- 115-96-8
Tris(2-chloroethyl) phosphate
- 14114-78-4
(2,2,2-trichloro-1-hydroxy-ethyl)-phosphonic acid bis-(2-chloro-ethyl) ester
| Conditions | Yield |
|---|---|
| In hexane Heating; | 82% |
| Conditions | Yield |
|---|---|
| With 2,6-di-tert-butyl-4-methyl-phenol; N-benzyl-N,N,N-triethylammonium chloride In N,N-dimethyl-formamide 1.) 110 deg C, 2 h, 2.) 130 deg C, 1 h; | 46% |
- 115-96-8
Tris(2-chloroethyl) phosphate
- 60263-54-9
1-cyclohexylcyclohexane-1-carboxylic acid
| Conditions | Yield |
|---|---|
| With sodium carbonate |
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Consensus Reports
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 48 , 1990,p. 109.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 48 , 1990,p. 109.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
Specification
Tris(2-chloroethyl) phosphate, its cas register number is 115-96-8. It also can be called Phosphoric acid tris(2-chloroethyl)ester; TCEP; Amgard TCEP; Celluflex; Disflamoll TCA; Ethanol, 2-chloro-, phosphate (3:1); Niax Flame Retardant 3CF; Tris(2-chloroethyl) orthophosphate. It is a odorless clear liquid and slightly water soluble.It is incompatible with strong oxidizing agents and strong bases.
Physical properties about this chemical are: (1)ACD/LogP: 1.468; (2)ACD/LogD (pH 5.5): 1.47; (3)ACD/LogD (pH 7.4): 1.47; (4)ACD/BCF (pH 5.5): 7.69; (5)ACD/BCF (pH 7.4): 7.69; (6)ACD/KOC (pH 5.5): 149.89; (7)ACD/KOC (pH 7.4): 149.89; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 9; (10)Index of Refraction: 1.463; (11)Molar Refractivity: 56.503 cm3; (12)Molar Volume: 204.964 cm3; (13)Polarizability: 22.4 10-24cm3; (14)Surface Tension: 40.5740013122559 dyne/cm; (15)Density: 1.393 g/cm3; (16)Flash Point: 232.222 °C; (17)Enthalpy of Vaporization: 56.826 kJ/mol; (18)Boiling Point: 347.374 °C at 760 mmHg
Uses of Tris(2-chloroethyl) phosphate: Tris(2-chloroethyl) phosphate (TCEP) is a chemical compound used as a flame retardant, plasticizer, and viscosity regulator in various types of polymers including polyurethanes, polyester resins, and polyacrylates.
When you are using this chemical, please be cautious about it as the following:
1. Wear suitable protective clothing and gloves;
2. Avoid release to the environment. Refer to special instructions safety data sheet;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2;
(2)InChIKey=HQUQLFOMPYWACS-UHFFFAOYSA-N;
(3)SmilesP(=O)(OCCCl)(OCCCl)OCCCl;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1866mg/kg (1866mg/kg) | National Technical Information Service. Vol. AD-A067-313, | |
| mouse | LDLo | intraperitoneal | 250mg/kg (250mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 396, 1955. |
| rabbit | LDLo | skin | 2gm/kg (2000mg/kg) | GASTROINTESTINAL: OTHER CHANGES SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0517716, |
| rat | LD50 | oral | 1230mg/kg (1230mg/kg) | Bulletin of Environmental Contamination and Toxicology. Vol. 17, Pg. 720, 1977. |