2-Bromo-4-fluorophenylacetic acid supplier

Name
2-Bromo-4-fluorophenylacetic acid
EINECS
CAS No. 61150-59-2
Article Data4
CAS DataBase
Density 1.697 g/cm³
Solubility
Melting Point 108-111 °C
Formula C₈H₆BrFO₂
Boiling Point 320.3 °C at 760 mmHg
Molecular Weight 233.037
Flash Point 147.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (2-Bromo-4-fluorophenyl)aceticacid;2-Bromo-4-fluorophenylacetic acid;2-(2-Bromo-4-fluorophenyl)acetic acid;
PSA 37.30000
LogP 2.21530

2-Bromo-4-fluorophenylacetic acid Specification

The IUPAC name of 2-Bromo-4-fluorophenylacetic acid is 2-(2-Bromo-4-fluorophenyl)acetic acid. With the CAS registry number 61150-59-2, it is also named as Benzeneacetic acid,2-bromo-4-fluoro-. The product's categories are Fluorobenzene; Phenylacetic acid. In addition, its molecular formula is C₈H₆BrFO₂ and its molecular weight is 233.03.

The other characteristics of 2-Bromo-4-fluorophenylacetic acid can be summarized as: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/BCF (pH 5.5): 1.09; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.89; (7)ACD/KOC (pH 7.4): 1; (8)H bond acceptors: 2; (9)H bond donors: 1; (10)Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 45.05 cm³; (14)Molar Volume: 137.2 cm³; (15)Polarizability: 17.85×10^-24cm³; (16)Surface Tension: 49 dyne/cm; (17)Density: 1.697 g/cm³; (18)Flash Point: 147.5 °C; (19)Enthalpy of Vaporization: 59.32 kJ/mol; (20)Boiling Point: 320.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000133 mmHg at 25 °C; (22)Melting Point: 108-111 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1cc(F)ccc1CC(=O)O
(2)InChI:InChI=1/C8H6BrFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
(3)InChIKey:MJSGXOXCPKTZTK-UHFFFAOYAK
(4)Std. InChI:InChI=1S/C8H6BrFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
(5)Std. InChIKey:MJSGXOXCPKTZTK-UHFFFAOYSA-N

Product Name

2-Bromo-4-fluorophenylacetic acid

2-Bromo-4-fluorophenylacetic acid Specification

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