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CAS No.: | 195136-66-4 |
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Name: | 3-Fluoro-2,4-dimethoxyaniline |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H10FNO2 |
Molecular Weight: | 171.171 |
Synonyms: | 2,4-Dimethoxy-3-fluoroaniline;3-Fluoro-2,4-Dimethoxyaniline; |
Density: | 1.189 g/cm3 |
Boiling Point: | 286.249 °C at 760 mmHg |
Flash Point: | 126.919 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 44.48000 |
LogP: | 2.00630 |
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The Benzenamine,3-fluoro-2,4-dimethoxy-, with the CAS registry number 195136-66-4, is also known as 2,4-Dimethoxy-3-fluoroaniline. It belongs to the product categories of Amines; Blocks; FluoroCompounds. This chemical's molecular formula is C8H10FNO2 and molecular weight is 171.1689032. What's more, its systematic name is 3-Fluoro-2,4-dimethoxyaniline. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes.
Physical properties about Benzenamine,3-fluoro-2,4-dimethoxy-: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 94; (8)ACD/KOC (pH 7.4): 98; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.48 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 43.84 cm3; (15)Molar Volume: 143.928 cm3; (16)Surface Tension: 36.419 dyne/cm; (17)Density: 1.189 g/cm3; (18)Flash Point: 126.919 °C; (19)Enthalpy of Vaporization: 52.535 kJ/mol; (20)Boiling Point: 286.249 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(OC)ccc(N)c1OC
(2) InChI: InChI=1/C8H10FNO2/c1-11-6-4-3-5(10)8(12-2)7(6)9/h3-4H,10H2,1-2H3
(3) InChIKey: VAILCKGWMRWFBD-UHFFFAOYAV