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CAS No.: | 37174-65-5 |
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Name: | 2-BIPHENYL-4'-BROMO-CARBOXYLIC ACID |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C13H9BrO2 |
Molecular Weight: | 277.117 |
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-; |
Density: | 1.51 g/cm3 |
Boiling Point: | 390 °C at 760 mmHg |
Flash Point: | 189.6 °C |
PSA: | 37.30000 |
LogP: | 3.81430 |
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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