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3-Trifluoromethylphenol CAS NO.98-17-9
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Quick Details
- ProName: 3-Trifluoromethylphenol
- CasNo: 98-17-9
- Molecular Formula: C7H5F3O
- Application: OLED intermediate
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- LimitNum: 10 Gram
Superiority
1.Introduction of 98-17-9
The CAS registry number of 3-Trifluoromethylphenol is 98-17-9. Its synonyms are m-trifluoromethylphenol; m-hydroxyb
Details
1.Introduction of 98-17-9
The CAS registry number of 3-Trifluoromethylphenol is 98-17-9. Its synonyms are m-trifluoromethylphenol; m-hydroxybenzotrifluoride; timtec-bb sbb008329; a,a,a-trifluoro-m-cresol; alpha,alpha,alpha-trifluoro-m-cresol; 3-(trifluoromethyl)phenol; 3-hydroxybenzotrifluoride; 3-hydroxy-alpha,alpha,alpha-trifluorotoluene.
2.Properties of 98-17-9
ACD/LogP: 2.95
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 2.95
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 5.5): 102.77
ACD/BCF (pH 7.4): 100.04
ACD/KOC (pH 5.5): 958.63
ACD/KOC (pH 7.4): 933.18
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
Polar Surface Area: 20.23Å2
Index of Refraction: 1.458
Molar Refractivity: 33.114 cm3
Molar Volume: 121.374 cm3
Polarizability: 13.128 10-24cm3
Surface Tension: 28.1189994812012 dyne/cm
Density: 1.336 g/cm3
Flash Point: 73.889 °C
Enthalpy of Vaporization: 43.129 kJ/mol
Boiling Point: 177.999 °C at 760 mmHg
Vapour Pressure: 0.749000012874603 mmHg at 25°C
3.Structure Descriptors of 98-17-9
(1)InChI: InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
(2)InChIKey: UGEJOEBBMPOJMT-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC(=CC(=C1)O)C(F)(F)F