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13674-84-5

Basic Information
CAS No.: 13674-84-5
Name: Phosphoric acid tris(2-chloro-1-methylethyl) ester
Article Data: 3
Molecular Structure:
Molecular Structure of 13674-84-5 (Phosphoric acid tris(2-chloro-1-methylethyl) ester)
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: HarmfulXn
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
ConditionsYield
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

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
ConditionsYield
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;
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
ConditionsYield
With trichlorophosphate; aluminum (III) chloride at 50 - 95℃; for 6h; Product distribution / selectivity;
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
ConditionsYield
With trichlorophosphate; aluminum (III) chloride at 25 - 75℃; for 6h; Product distribution / selectivity;
13674-84-5

tris-(2-chloro, 1-methylethyl)-phosphate

5536-61-8

sodium methacrylate

C13H23Cl2O6P

Conditions
ConditionsYield
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
ConditionsYield
With dihydrogen peroxide In water UV-irradiation;
Raw Materials
75-56-9
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    Product name: Tris(2-Chloropropyl) Phosphate CAS No.: 13674-84-5 Molecule Formula:C9H18Cl3O4P Molecule Weight:217.57 Purity: 99.0% Package: 200kg/drum Description:Colorless or light yellow transparent liquid Manufacture Standards:Enterprise St

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    Product Name: Phosphoric acid tris(2-chloro-1-methylethyl) ester Synonyms: Phosphoric acid tris(2-chloro-1-methylethyl) ester;TRIS(1-CHLORO-2-PROPYL) PHOSPHATE;TRIS(1-CHLOROPROPYL)PHOSPHATE;TRIS(2-CHLORO-1-METHYLETHYL) PHOSPHATE;TRIS(CHLOROISO

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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 C9H18Cl3O4P 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,