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4-Bromo-5-fluoro-2-methylaniline

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Name

4-Bromo-5-fluoro-2-methylaniline

EINECS N/A
CAS No. 52723-82-7 Density 1.589 g/cm3
PSA 26.02000 LogP 3.06000
Solubility N/A Melting Point 77-80°C
Formula C7H7BrFN Boiling Point 245.297 °C at 760 mmHg
Molecular Weight 204.042 Flash Point 102.152 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 52723-82-7 (4-Bromo-5-fluoro-2-methylaniline) Hazard Symbols N/A
Synonyms

4-Bromo-5-fluoro-2-methylphenylamine;

Article Data 4

4-Bromo-5-fluoro-2-methylaniline 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

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