[1,1'-Biphenyl]-2-carboxylicacid, 4'-bromo- supplier

Name
2-BIPHENYL-4'-BROMO-CARBOXYLIC ACID
EINECS
CAS No. 37174-65-5
Article Data13
CAS DataBase
Density 1.51 g/cm³
Solubility
Melting Point
Formula C₁₃H₉BrO₂
Boiling Point 390 °C at 760 mmHg
Molecular Weight 277.117
Flash Point 189.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Biphenylcarboxylicacid, 4'-bromo- (6CI,7CI);2-(4-Bromophenyl)benzoic acid;2-(p-Bromophenyl)benzoic acid;4'-Bromo-1,1'-biphenyl-2-carboxylic acid;4'-Bromobiphenyl-2-carboxylic acid;4'-bromobiphenyl-2-carboxylic acid;[1,1'-Biphenyl]-2-carboxylic acid, 4'-bromo-;
PSA 37.30000
LogP 3.81430

[1,1'-Biphenyl]-2-carboxylicacid, 4'-bromo- Specification

The [1,1'-Biphenyl]-2-carboxylicacid, 4'-bromo-, with the CAS registry number 37174-65-5, has the systematic name of 4'-bromobiphenyl-2-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₃H₉BrO₂.

The characteristics of [1,1'-Biphenyl]-2-carboxylicacid, 4'-bromo- are as followings: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 10.55; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 61.33; (8)ACD/KOC (pH 7.4): 2.99; (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: 1.632; (14)Molar Refractivity: 65.46 cm³; (15)Molar Volume: 183.4 cm³; (16)Polarizability: 25.95c×10^-24cm³; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.51 g/cm³; (19)Flash Point: 189.6 °C; (20)Enthalpy of Vaporization: 67.43 kJ/mol; (21)Boiling Point: 390 °C at 760 mmHg; (22)Vapour Pressure: 8.84E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc(cc1)c2ccccc2C(O)=O
(2)InChI: InChI=1/C13H9BrO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,(H,15,16)
(3)InChIKey: NTCVMUBIEDDKML-UHFFFAOYAC

Product Name

2-BIPHENYL-4'-BROMO-CARBOXYLIC ACID

[1,1'-Biphenyl]-2-carboxylicacid, 4'-bromo- Specification

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