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93951-80-5

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Basic Information
CAS No.: 93951-80-5
Name: 2,4,6-TRICHLOROPHENOL (RING-D2)
Molecular Structure:
Molecular Structure of 93951-80-5 (2,4,6-TRICHLOROPHENOL (RING-D2))
Formula: C6HCl3D2O
Molecular Weight: 199.46
Synonyms: 2,4,6-TRICHLOROPHENOL-3,5-D2;2,4,6-TRICHLOROPHENOL (RING-D2);2,4,6-Trichlorophenol-d2
Density: 1.612 g/cm3
Melting Point: 64-66 °C
Boiling Point: 245.999 °C at 760 mmHg
Flash Point: 95.886 °C
PSA: 20.23000
LogP: 3.35240
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Specification

The cas register number of 2,4,6-Trichlorophenol-3,5-D2 is 93951-80-5. It also can be called as phenol-3,5-d2, 2,4,6-trichloro- and the Systematic name about this chemical is 2,4,6-Trichloro(2H2)phenol.

Physical properties about 2,4,6-Trichlorophenol-3,5-D2 are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.735; (4)ACD/LogD (pH 7.4): 2.898; (5)ACD/BCF (pH 5.5): 398.755; (6)ACD/BCF (pH 7.4): 58.003; (7)ACD/KOC (pH 5.5): 2474.766; (8)ACD/KOC (pH 7.4): 359.978; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 42.82 cm3; (15)Molar Volume: 123.715 cm3; (16)Surface Tension: 50.559 dyne/cm; (17)Density: 1.612 g/cm3; (18)Flash Point: 95.886 °C; (19)Enthalpy of Vaporization: 50.267 kJ/mol; (20)Boiling Point: 245.999 °C at 760 mmHg; (21)Vapour Pressure: 0.018 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: [2H]c1c(c(c(c(c1Cl)O)Cl)[2H])Cl
2.InChI: InChI=1/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/i1D,2D 
3.InChIKey: LINPIYWFGCPVIE-QDNHWIQGEW
4.Std. InChI: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/i1D,2D