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1-(4-Bromophenyl)cyclopropanecarboxylic acid

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Name

1-(4-Bromophenyl)cyclopropanecarboxylic acid

EINECS N/A
CAS No. 345965-52-8 Density 1.671 g/cm3
PSA 37.30000 LogP 2.56530
Solubility N/A Melting Point N/A
Formula C10H9BrO2 Boiling Point 354.34 °C at 760 mmHg
Molecular Weight 241.084 Flash Point 168.099 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 345965-52-8 (1-(4-Bromophenyl)cyclopropanecarboxylic acid) Hazard Symbols N/A
Synonyms

α-(4-Bromophenyl)cyclopropanecarboxylic acid;1-(4-Bromophenyl)-1-cyclopropanecarboxylicacid;

Article Data 29

1-(4-Bromophenyl)cyclopropanecarboxylic acid Specification

The 1-(4-Bromophenyl)cyclopropanecarboxylic acid, with the CAS registry number 345965-52-8, has the IUPAC name of 1-(4-bromophenyl)cyclopropane-1-carboxylic acid. It belongs to the product categories: Pharmacetical; Carboxylic Acids; Carboxylic Acids; Ring Systems. And the molecular formula of the chemical is C10H9BrO2.

The characteristics of 1-(4-Bromophenyl)cyclopropanecarboxylic acid are as followings: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4):  ; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22; (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: 37.3 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 51.982 cm3; (15)Molar Volume: 144.289 cm3; (16)Polarizability: 20.607×10-24cm3; (17)Surface Tension: 61.407 dyne/cm; (18)Density: 1.671 g/cm3; (19)Flash Point: 168.099 °C; (20)Enthalpy of Vaporization: 63.247 kJ/mol; (21)Boiling Point: 354.34 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ccc1C2(CC2)C(=O)O)Br
(2)InChI: InChI=1/C10H9BrO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
(3)InChIKey: BYJIXWOWTNEVFO-UHFFFAOYAY

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