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| CAS No.: | 52723-82-7 |
|---|---|
| Name: | 4-Bromo-5-fluoro-2-methylaniline |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H7BrFN |
| Molecular Weight: | 204.042 |
| Synonyms: | 4-Bromo-5-fluoro-2-methylphenylamine; |
| Density: | 1.589 g/cm3 |
| Melting Point: | 77-80°C |
| Boiling Point: | 245.297 °C at 760 mmHg |
| Flash Point: | 102.152 °C |
| PSA: | 26.02000 |
| LogP: | 3.06000 |
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Specification
The 4-Bromo-5-fluoro-2-methylaniline, with the CAS registry number 52723-82-7, is also known as 4-bromo-5-fluoro-2-methylphenylamine. It belongs to the product category of Anilines, Aromatic Amines and Nitro Compounds. Its molecular formula is C7H7BrFN and molecular weight is 204.0396. What's more, the IUPAC name of this chemical is 4-bromo-5-fluoro-2-methylaniline.
Physical properties about 4-Bromo-5-fluoro-2-methylaniline are: (1)ACD/LogP: 2.29; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.291; (4)ACD/LogD (pH 7.4): 2.292; (5)ACD/BCF (pH 5.5): 32.446; (6)ACD/BCF (pH 7.4): 32.501; (7)ACD/KOC (pH 5.5): 419.854; (8)ACD/KOC (pH 7.4): 420.557; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 42.998 cm3; (15)Molar Volume: 128.383 cm3; (16)Surface Tension: 42.799 dyne/cm; (17)Density: 1.589 g/cm3; (18)Flash Point: 102.152 °C; (19)Enthalpy of Vaporization: 48.238 kJ/mol; (20)Boiling Point: 245.297 °C at 760 mmHg; (21)Vapour Pressure: 0.029 mmHg at 25 °C; (22)Melting Point: 77-80 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(c(cc1N)F)Br
(2) InChI: InChI=1/C7H7BrFN/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,10H2,1H3
(3) InChIKey: BRAZFTXACIZDRP-UHFFFAOYAR