CAS No.13674-84-5,Phosphoric acid tris(2-chloro-1-methylethyl) ester Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13674-84-5
Name:	Phosphoric acid tris(2-chloro-1-methylethyl) ester
Article Data:	3
Cas Database

Formula:	C₉H₁₈Cl₃O₄P
Molecular Weight:	327.572
Synonyms:	2-Propanol,1-chloro-, phosphate (3:1) (8CI,9CI);Amgard TMCP;Antiblaze 80;AntiblazeTMCP;Daltoguard F;Fyrol PCF;Hostaflam OP 820;Levagard PP;TolgardTMCP;Tris(1-chloro-2-propyl) phosphate;Tris(1-methyl-2-chloroethyl)phosphate;Tris(2-chloro-1-methylethyl) phosphate;
EINECS:	237-158-7
Density:	1.281 g/cm³
Melting Point:	-39.9°C
Boiling Point:	358.5 ºC at 760 mmHg
Flash Point:	249.7 ºC
Solubility:	<0.1 g/100 mL at 19.5 ºC in water
Appearance:	Clear colorless viscous liquid
Hazard Symbols:	Xn
Risk Codes:	22-37
PSA:	54.57000
LogP:	4.02620

Synthetic route

: 75-56-9, 16033-71-9
methyloxirane

: 13674-84-5
tris-(2-chloro, 1-methylethyl)-phosphate

Conditions

Conditions	Yield
With aluminum (III) chloride; calcium oxide; trichlorophosphate at 20 - 65℃; Large scale;	98.1%
With hydrogenchloride; trichlorophosphate

: 75-56-9, 16033-71-9
methyloxirane

A: 6145-73-9
Tris(2-chloropropyl) phosphate

B: 14250-96-5, 16958-22-8, 623-36-9
2-methyl-2-pentenal

C: 13674-84-5
tris-(2-chloro, 1-methylethyl)-phosphate

D: 76025-08-6
bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate

E: 76649-15-5
2-chloro-1-methylethyl bis(2-chloropropyl)phosphate

Conditions

Conditions	Yield
With trichlorophosphate; aluminum (III) chloride at 40 - 65℃; for 6h; Product distribution / selectivity;
With trichlorophosphate; titanium tetrachloride at 40 - 65℃; for 6h; Product distribution / selectivity;

...Expand

: 75-56-9, 16033-71-9
methyloxirane

A: 6145-73-9
Tris(2-chloropropyl) phosphate

B: 13674-84-5
tris-(2-chloro, 1-methylethyl)-phosphate

C: 76025-08-6
bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate

D: 76649-15-5
2-chloro-1-methylethyl bis(2-chloropropyl)phosphate

Conditions

Conditions	Yield
With trichlorophosphate; aluminum (III) chloride at 50 - 95℃; for 6h; Product distribution / selectivity;

...Expand

: 75-56-9, 16033-71-9
methyloxirane

A: 13674-84-5
tris-(2-chloro, 1-methylethyl)-phosphate

B: 76025-08-6
bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate

C: 76649-15-5
2-chloro-1-methylethyl bis(2-chloropropyl)phosphate

Conditions

Conditions	Yield
With trichlorophosphate; aluminum (III) chloride at 25 - 75℃; for 6h; Product distribution / selectivity;

...Expand

: 13674-84-5
tris-(2-chloro, 1-methylethyl)-phosphate

: 5536-61-8
sodium methacrylate

: C13H23Cl2O6P

Conditions

Conditions	Yield
With 4-(benzyloxycarbonyl)-2,2,6,6-tetramethylpiperidine-1-oxyl; tetramethlyammonium chloride In N,N-dimethyl-formamide at 100℃; for 36h; Temperature; Reagent/catalyst;

: 13674-84-5
tris-(2-chloro, 1-methylethyl)-phosphate

A: 849585-22-4
LACTIC ACID

B: 57-55-6
propylene glycol

C: 14807-82-0
1-hydroxypropan-2-yl dihydrogenphosphate

D: 1611-31-0
diisopropylphosphate

E: 513-02-0
triisopropyl phosphate

F: 16136-84-8
cis-1-chloropropene

G: 124-38-9
carbon dioxide

H: 86119-84-8, 7664-38-2
phosphoric acid

I: bis(1-hydroxypropan-2-yl) hydrogenphosphate

J: 16887-00-6
chloride

K: 144-62-7
oxalic acid

L: hydrogen cation

M: 14265-44-2
Phosphate

N: 67-63-0
isopropyl alcohol

O: 10294-56-1
phosphorous acid

Conditions

Conditions	Yield
With dihydrogen peroxide In water UV-irradiation;

...Expand

Raw Materials

75-56-9

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Tris(1-chloro-2-propyl) phosphate, with the CAS registry number 13674-84-5, is also known as Phosphoric acid tris(2-chloro-1-methylethyl) ester.It belongs to the product categories of Organics.Its EINECS number is 237-158-7.This chemical's molecular formula is C₉H₁₈C_l3O₄P and molecular weight is 327.57. What's more,Its systematic name is 2-Propanol,1-chloro-,phosphate (3:1).The Tris(1-chloro-2-propyl) phosphate is a Clear colorless and Insoluble in water viscous liquid .Phosphoric acid tris(2-chloro-1-methylethyl) ester may hydrolyze under acidic or alkaline conditions.

Physical properties about Tris(1-chloro-2-propyl) phosphate are:(1)ACD/LogP: 2.529; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.22; (6)ACD/BCF (pH 7.4): 49.22; (7)ACD/KOC (pH 5.5): 566.03; (8)ACD/KOC (pH 7.4): 566.03; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.462; (13)Molar Refractivity: 70.278 cm³; (14)Molar Volume: 255.614 cm³; (15)Surface Tension: 36.6189994812012 dyne/cm; (16)Density: 1.282 g/cm³; (17)Flash Point: 249.709 °C; (18)Enthalpy of Vaporization: 58.015 kJ/mol; (19)Boiling Point: 358.465 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

The Tris(1-chloro-2-propyl) phosphate is harmful if swallowed . It is irritating to respiratory system.When heated to decomposition Phosphoric acid tris(2-chloro-1-methylethyl) ester emits very toxic fumes.Phosphoric acid tris(2-chloro-1-methylethyl) ester is probably combustible.

You can still convert the following datas into molecular structure:
(1)SMILES:ClCC(OP(=O)(OC(CCl)C)OC(C)CCl)C;
(2)Std. 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;
(3)Std. InChIKey:KVMPUXDNESXNOH-UHFFFAOYSA-N.

The toxicity data of Tris(1-chloro-2-propyl) phosphate as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05768,
rat	LD50	oral	1500mg/kg (1500mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	National Technical Information Service. Vol. OTS0557521,

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