China (Mainland)
Acetic acid,2-[(4-nitrophenyl)thio]- CAS NO.3406-75-5
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Keywords
- [(4-Nitrophenyl)sulfanyl]acetic acid
- Aceticacid, [(4-nitrophenyl)thio]- (9CI)
- NSC 51445
Quick Details
- ProName: Acetic acid,2-[(4-nitrophenyl)thio]-
- CasNo: 3406-75-5
- Application: The Acetic acid,2-[(4-nitrophenyl)thio...
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- Purity: 99
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Superiority
The Acetic acid,2-[(4-nitrophenyl)thio]-, with the CAS registry number 3406-75-5, is also known as [(4-Nitrophenyl)sulfanyl]acetic acid. This chemical's molecular formula is C8H7NO4S and molecular weight is 213.21. What's more, its IUPAC name is 2-(4-nitrophenyl)sulfanylacetic acid.
Physical properties of Acetic acid,2-[(4-nitrophenyl)thio]- are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -1.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1.85; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 97.42 Å2; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 51.7 cm3; (14)Molar Volume: 143.6 cm3; (15)Polarizability: 20.49×10-24cm3; (16)Surface Tension: 69.9 dyne/cm; (17)Density: 1.48 g/cm3; (18)Flash Point: 206.1 °C; (19)Enthalpy of Vaporization: 70.69 kJ/mol; (20)Boiling Point: 417.2 °C at 760 mmHg; (21)Vapour Pressure: 1.05E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by mercaptoacetic acid, 1-chloro-4-nitro-benzene by heating. This reaction will need reagent NaOH and solvent H2O with the reaction time of 8 hours. The yield is about 90%.
Details
The Acetic acid,2-[(4-nitrophenyl)thio]-, with the CAS registry number 3406-75-5, is also known as [(4-Nitrophenyl)sulfanyl]acetic acid. This chemical's molecular formula is C8H7NO4S and molecular weight is 213.21. What's more, its IUPAC name is 2-(4-nitrophenyl)sulfanylacetic acid.
Physical properties of Acetic acid,2-[(4-nitrophenyl)thio]- are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -1.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1.85; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 97.42 Å2; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 51.7 cm3; (14)Molar Volume: 143.6 cm3; (15)Polarizability: 20.49×10-24cm3; (16)Surface Tension: 69.9 dyne/cm; (17)Density: 1.48 g/cm3; (18)Flash Point: 206.1 °C; (19)Enthalpy of Vaporization: 70.69 kJ/mol; (20)Boiling Point: 417.2 °C at 760 mmHg; (21)Vapour Pressure: 1.05E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by mercaptoacetic acid, 1-chloro-4-nitro-benzene by heating. This reaction will need reagent NaOH and solvent H2O with the reaction time of 8 hours. The yield is about 90%.