| Identification | |
| Name: | Benzenebutanoic acid,4-bromo- |
| Synonyms: | Butyricacid, 4-(p-bromophenyl)- (7CI);4-(4-Bromophenyl)butanoic acid;4-(p-Bromophenyl)butyric acid;NSC 74918; |
| CAS: | 35656-89-4 |
| Molecular Formula: | C10H11BrO2 |
| Molecular Weight: | 243.0971 |
| InChI: | InChI=1/C10H11BrO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.463 g/cm3 |
| Refractive index: | 1.567 |
| Specification: |
The IUPAC name of 4-(4-Bromophenyl)butanoic acid is 4-(4-bromophenyl)butanoic acid. With the CAS registry number 35656-89-4, it is also named as Benzenebutanoic acid,4-bromo-. The product's category is chiral chemicals. Moreover, its molecular formula is C10H11BrO2 and its molecular weight is 243.1. The other characteristics of 4-(4-Bromophenyl)butanoic acid can be summarized as: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 23.01; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 190.4; (8)ACD/KOC (pH 7.4): 3.03; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 54.32 cm3; (15)Molar Volume: 166 cm3; (16)Polarizability: 21.53×10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.463 g/cm3; (19)Flash Point: 166.1 °C; (20)Melting Point: 67 °C; (21)Enthalpy of Vaporization: 62.86 kJ/mol; (22)Boiling Point: 351.1 °C at 760 mmHg; (23)Vapour Pressure: 1.57E-05 mmHg at 25 °C. People can use the following data to convert to the molecule structure. |
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