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| CAS No.: | 2168-06-1 |
|---|---|
| Name: | 3,3,3-Tris(4-chlorophenyl)propionic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C21H15Cl3O2 |
| Molecular Weight: | 405.708 |
| Synonyms: | Propionicacid, 3,3,3-tris(p-chlorophenyl)- (6CI,7CI,8CI); |
| EINECS: | 218-509-3 |
| Density: | 1.369 g/cm3 |
| Melting Point: | 190-193 °C(lit.) |
| Boiling Point: | 505.8 °C at 760 mmHg |
| Flash Point: | 259.7 °C |
| Appearance: | White crystallized powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 37.30000 |
| LogP: | 6.45590 |
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Chemistry
3,3,3-Tris(4-chlorophenyl)propionic acid (2168-06-1) is also named as 3,3,3-tris(p-chlorophenyl)propionic acid ; 3,3,3,-Trise-(4-Chlorophenyl)-PropionicAcid ; 3,3,3-Tris-(4-Chlorophenyl)-Pr ; 275190_ALDRICH ; CHEBI:436080 ; CID75107 ,and so on. 3,3,3-Tris(4-chlorophenyl)propionic acid (2168-06-1) is usually white crystal powder.
IUPAC Name: 3,3,3-Tris(4-chlorophenyl)propanoic acid
CAS: 2168-06-1
Molecular Formula: C21H15Cl3O2
Molecular Weight: 405.7
Molecular structure: 
EINECS: 218-509-3
Melting point: 190-193 °C(lit.)
ACD/LogD (pH 5.5): 5.44
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 5.5): 3641.69
ACD/BCF (pH 7.4): 64.41
ACD/KOC (pH 5.5): 4868.77
ACD/KOC (pH 7.4): 86.11
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 5
Index of Refraction: 1.627
Molar Refractivity: 105.05 cm3
Molar Volume: 296.2 cm3
Polarizability: 41.64 10-24cm3
Surface Tension: 51.4 dyne/cm
Density: 1.369 g/cm3
Flash Point: 259.7 °C
Enthalpy of Vaporization: 81.66 kJ/mol
Boiling Point: 505.8 °C at 760 mmHg
Vapour Pressure: 4.74E-11 mmHg at 25°C
Uses
3,3,3-Tris(4-chlorophenyl)propionic acid (2168-06-1) is commonly used as pharmaceutical intermediate.
Safety Profile
Hazard Codes: Xi 
Risk Statements: 36/37/38 (36/37/38: Irritating to eyes, respiratory system and skin)
Safety Statements: 26-37/39 (26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 37/39: Wear suitable gloves and eye/face protection)
WGK Germany: 3
Specification
Removal in wastewater treatment of 3,3,3-Tris(4-chlorophenyl)propionic acid (2168-06-1) can be stated as follows:
Total removal:93.85 percent
Total biodegradation:0.78 percent
Total sludge adsorption:93.07 percent
Total to Air:0.00 percent
(using 10000 hr Bio P,A,S)