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5-Bromo-2-fluorophenylacetic acid

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Name

5-Bromo-2-fluorophenylacetic acid

EINECS N/A
CAS No. 883514-21-4 Density 1.697 g/cm3
PSA 37.30000 LogP 2.21530
Solubility N/A Melting Point 111-112 °C
Formula C8H6BrFO2 Boiling Point 319.6 °C at 760 mmHg
Molecular Weight 233.037 Flash Point 147.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 883514-21-4 (5-Bromo-2-fluorophenylacetic acid) Hazard Symbols IrritantXi
Synonyms

(5-Bromo-2-fluorophenyl)aceticacid;

 

5-Bromo-2-fluorophenylacetic acid Specification

This chemical is called Benzeneacetic acid, 5-bromo-2-fluoro-, and its systematic name is (5-Bromo-2-fluorophenyl)acetic acid. With the molecular formula of C8H6BrFO2, its molecular weight is 233.03. The CAS registry number of this chemical is 883514-21-4. Additionally, its product category is Phenylacetic Acid.

Other characteristics of the Benzeneacetic acid, 5-bromo-2-fluoro- can be summarised as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.6; (4)ACD/LogD (pH 7.4): -1.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 45.05 cm3; (15)Molar Volume: 137.2 cm3; (16)Polarizability: 17.85×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.697 g/cm3; (19)Flash Point: 147.1 °C; (20)Enthalpy of Vaporization: 59.25 kJ/mol; (21)Boiling Point: 319.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000139 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1c(cc(Br)cc1)CC(=O)O
2.InChI: InChI=1/C8H6BrFO2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
3.InChIKey: WSWMCZBGQYAYIS-UHFFFAOYAH

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