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| CAS No.: | 13674-84-5 |
|---|---|
| Name: | Tris(2-chloroisopropyl)phosphate |
| Article Data: | 3 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| 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 |
| Safety: | |
| Transport Information: | N/A |
| PSA: | 54.57000 |
| LogP: | 4.02620 |
methyloxirane
tris-(2-chloro, 1-methylethyl)-phosphate
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride; calcium oxide; trichlorophosphate at 20 - 65℃; Large scale; | 98.1% |
| With hydrogenchloride; trichlorophosphate |
methyloxirane
A
Tris(2-chloropropyl) phosphate
B
2-methyl-2-pentenal
C
tris-(2-chloro, 1-methylethyl)-phosphate
D
bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate
E
2-chloro-1-methylethyl bis(2-chloropropyl)phosphate
| 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; |
methyloxirane
A
Tris(2-chloropropyl) phosphate
B
tris-(2-chloro, 1-methylethyl)-phosphate
C
bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate
D
2-chloro-1-methylethyl bis(2-chloropropyl)phosphate
| Conditions | Yield |
|---|---|
| With trichlorophosphate; aluminum (III) chloride at 50 - 95℃; for 6h; Product distribution / selectivity; |
methyloxirane
A
tris-(2-chloro, 1-methylethyl)-phosphate
B
bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate
C
2-chloro-1-methylethyl bis(2-chloropropyl)phosphate
| Conditions | Yield |
|---|---|
| With trichlorophosphate; aluminum (III) chloride at 25 - 75℃; for 6h; Product distribution / selectivity; |
| 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; |
tris-(2-chloro, 1-methylethyl)-phosphate
A
LACTIC ACID
B
propylene glycol
C
1-hydroxypropan-2-yl dihydrogenphosphate
D
diisopropylphosphate
E
triisopropyl phosphate
F
cis-1-chloropropene
G
carbon dioxide
H
phosphoric acid
J
chloride
K
oxalic acid
M
Phosphate
N
isopropyl alcohol
O
phosphorous acid
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In water UV-irradiation; |
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Reported in EPA TSCA Inventory.
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, |
