1-(4-Bromophenyl)cyclopropanecarboxylic acid supplier

Name
1-(4-Bromophenyl)cyclopropanecarboxylic acid
EINECS
CAS No. 345965-52-8
Article Data29
CAS DataBase
Density 1.671 g/cm³
Solubility
Melting Point
Formula C₁₀H₉BrO₂
Boiling Point 354.34 °C at 760 mmHg
Molecular Weight 241.084
Flash Point 168.099 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms α-(4-Bromophenyl)cyclopropanecarboxylic acid;1-(4-Bromophenyl)-1-cyclopropanecarboxylicacid;
PSA 37.30000
LogP 2.56530

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

Product Name

1-(4-Bromophenyl)cyclopropanecarboxylic acid

1-(4-Bromophenyl)cyclopropanecarboxylic acid Specification

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