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Tris(2-chloroethyl) phosphate

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Name

Tris(2-chloroethyl) phosphate

EINECS 204-118-5
CAS No. 115-96-8 Density 1.392 g/cm3
PSA 54.57000 LogP 2.86070
Solubility 7 g/L (20 °C ) in water Melting Point -51 °C
Formula C6H12Cl3O4P Boiling Point 347.4 °C at 760 mmHg
Molecular Weight 285.492 Flash Point 232.2 °C
Transport Information UN 2810 6.1/PG 3 Appearance odorless clear liquid
Safety 36/37-61 Risk Codes 22-40-51/53
Molecular Structure Molecular Structure of 115-96-8 (Tris(2-chloroethyl) phosphate) Hazard Symbols HarmfulXn,DangerousN
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;

Article Data 32

Tris(2-chloroethyl) phosphate Synthetic route

75-21-8

oxirane

115-96-8

Tris(2-chloroethyl) phosphate

Conditions
ConditionsYield
With trichlorophosphate at 10℃; for 2h; Autoclave; Reflux;99.2%
With titanium tetrachloride; trichlorophosphate at 50 - 65℃; for 9h;94%
With trichlorophosphate at 100℃;
107-07-3

2-chloro-ethanol

115-96-8

Tris(2-chloroethyl) phosphate

Conditions
ConditionsYield
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;
140-08-9

tris(2-chloro-ethyl)phosphite

115-96-8

Tris(2-chloroethyl) phosphate

Conditions
ConditionsYield
With potassium permanganate
With chlorine; 2-chloro-ethanol
With phosphoric acid In nitromethane
74-85-1

ethene

115-96-8

Tris(2-chloroethyl) phosphate

Conditions
ConditionsYield
With phosphoric acid; chlorine
107-07-3

2-chloro-ethanol

115-96-8

Tris(2-chloroethyl) phosphate

60-29-7

diethyl ether

140-08-9

tris(2-chloro-ethyl)phosphite

aqueous potassium permanganate

aqueous potassium permanganate

115-96-8

Tris(2-chloroethyl) phosphate

cobalt(II) chloride hexahydrate

115-96-8

Tris(2-chloroethyl) phosphate

tetrakis[tri(2-chloroethyl)phosphate]diaquacobalt(II) tetrachlorocobaltate(II)

Conditions
ConditionsYield
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
ConditionsYield
In hexane Heating;82%
115-96-8

Tris(2-chloroethyl) phosphate

555-06-6

sodium p-aminobenzoate

tris[2-(p-aminobenzoyloxy)ethyl] phosphate

Conditions
ConditionsYield
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

bicyclohexyl-1-carboxylic acid-(2-chloro-ethyl ester)

Conditions
ConditionsYield
With sodium carbonate

Tris(2-chloroethyl) phosphate 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.

Tris(2-chloroethyl) phosphate 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.
 

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