Specification: |
The cas register number of Tris(2-chloropropyl) phosphate is 6145-73-9. It also can be called as Tris(beta-chloropropyl) phosphate and the Systematic name about this chemical is 1-Propanol, 2-chloro-, 1,1',1''-phosphate.
Physical properties about Tris(2-chloropropyl) phosphate are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.51; (6)ACD/BCF (pH 7.4): 8.51; (7)ACD/KOC (pH 5.5): 161.11; (8)ACD/KOC (pH 7.4): 161.11; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 54.57Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 70.27 cm3; (15)Molar Volume: 255.6 cm3; (16)Surface Tension: 36.6 dyne/cm; (17)Density: 1.281 g/cm3; (18)Flash Point: 249.7 °C; (19)Enthalpy of Vaporization: 58.02 kJ/mol; (20)Boiling Point: 358.5 °C at 760 mmHg; (21)Vapour Pressure: 5.25E-05 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: ClC(COP(=O)(OCC(Cl)C)OCC(Cl)C)C
2.InChI: InChI=1/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3
3.InChIKey: GTRSAMFYSUBAGN-UHFFFAOYAS
4.Std. InChI: InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3
The following are the toxicity data which has been tested.
Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
rabbit |
LD50 |
skin |
2gm/kg (2000mg/kg) |
BEHAVIORAL: FOOD INTAKE (ANIMAL)
SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" |
National Technical Information Service. Vol. OTS0517715, |
rat |
LCLo |
inhalation |
5gm/m3/4H (5000mg/m3) |
SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) |
National Technical Information Service. Vol. OTS0517715, |
rat |
LD50 |
oral |
1017mg/kg (1017mg/kg) |
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
BEHAVIORAL: IRRITABILITY
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" |
National Technical Information Service. Vol. OTS0517716, |
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