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1-Propanol, 2-chloro-,1,1',1''-phosphate (6145-73-9)

Identification
Name:1-Propanol, 2-chloro-,1,1',1''-phosphate
Synonyms:1-Propanol,2-chloro-, phosphate (3:1) (6CI,8CI,9CI);AP 33;Antiblaze RX 35;NSC 524664;Noinen R 921;Pelron 9338;TCPP;TMCPP;Tri(2-chloropropyl) phosphate;Tri(b-chloropropyl) phosphate;Tris(2-chloropropyl) phosphate;Tris(b-chloropropyl) phosphate;
CAS:6145-73-9
EINECS: 228-150-4
Molecular Formula: C9H18Cl3O4P
Molecular Weight: 327.57
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
Molecular Structure: (C9H18Cl3O4P) 1-Propanol,2-chloro-, phosphate (3:1) (6CI,8CI,9CI);AP 33;Antiblaze RX 35;NSC 524664;Noinen R 921;Pe...
Properties
Density:1.281 g/cm3
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,

Safety Data