Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(4-Bromobenzoyl)benzoic acid |
EINECS | N/A |
CAS No. | 2159-40-2 | Density | 1.554 g/cm3 |
PSA | 54.37000 | LogP | 3.37830 |
Solubility | N/A | Melting Point |
158°C |
Formula | C14H9BrO3 | Boiling Point | 482.7 °C at 760 mmHg |
Molecular Weight | 305.128 | Flash Point | 245.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzoic acid, 2-(4-bromobenzoyl)-;Benzoic acid, o-(p-bromobenzoyl)-;Benzoic acid, 2- (4-bromobenzoyl)-; |
Article Data | 21 |
This chemical is called 2-(4-Bromobenzoyl)benzoic acid, and it's also named as o-(p-Bromobenzoyl)benzoic acid. With the molecular formula of C14H9BrO3, its molecular weight is 305.1235. The CAS registry number of this chemical is 2159-40-2.
Other characteristics of the 2-(4-Bromobenzoyl)benzoic acid can be summarised as followings: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1.1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.86; (8)ACD/KOC (pH 7.4): 1.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 70.66 cm3; (15)Molar Volume: 196.2 cm3; (16)Polarizability: 28.01×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.554 g/cm3; (19)Flash Point: 245.7 °C; (20)Enthalpy of Vaporization: 78.75 kJ/mol; (21)Boiling Point: 482.7 °C at 760 mmHg; (22)Vapour Pressure: 3.96E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(Br)cc1)c2ccccc2C(=O)O
2.InChI: InChI=1/C14H9BrO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
3.InChIKey: NONNFIAFWRSPPY-UHFFFAOYAP