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CAS No.: | 120103-19-7 |
---|---|
Name: | 4-AMINO-2,5-DIFLUOROPHENOL |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H5F2NO |
Molecular Weight: | 145.109 |
Synonyms: | 2,5-Difluoro-4-aminophenol;4-Amino-2,5-difluorophenol; |
Density: | 1.472 g/cm3 |
Boiling Point: | 251.8 °C at 760 mmHg |
Flash Point: | 106.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 46.25000 |
LogP: | 1.83380 |
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The Phenol,4-amino-2,5-difluoro-, with its CAS registry number 120103-19-7, has the systematic name of 4-amino-2,5-difluorophenol. With its molecular foumula of C6H5F2NO, it has the formula weight of 145.11. Besides, its product categories are including pharmacetical; Phenol&Thiophenol&Mercaptan. When you are dealing with it, you should be careful. This chemical may cause inflammation to the skin or other mucous membranes.
The characteristics of Phenol,4-amino-2,5-difluoro- are as follows: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 4.3; (6)ACD/BCF (pH 7.4): 3.45; (7)ACD/KOC (pH 5.5): 98.76; (8)ACD/KOC (pH 7.4): 79.24; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 32.35 cm3; (15)Molar Volume: 98.5 cm3; (16)Polarizability: 12.82×10-24cm3; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.472 g/cm3; (19)Flash Point: 106.1 °C; (20)Enthalpy of Vaporization: 50.89 kJ/mol; (21)Boiling Point: 251.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0126 mmHg at 25°C; (23)Exact Mass: 145.03392; (24)MonoIsotopic Mass: 145.03392; (25)Topological Polar Surface Area: 46.2; (26)Heavy Atom Count: 10; (27)Covalently-Bonded Unit Count: 1; (28)Feature 3D Donor Count: 2; (29)Feature 3D Cation Count:1; (30)Feature 3D Ring Count: 1.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Fc1cc(N)c(F)cc1O
(2)InChI:InChI=1/C6H5F2NO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H,9H2
(3)InChIKey:RPNPSBJBVUOFBH-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C6H5F2NO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H,9H2
(5)Std. InChIKey:RPNPSBJBVUOFBH-UHFFFAOYSA-N