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CAS No.: | 78080-34-9 |
---|---|
Name: | 4-Bromo-N-butylbenzamide |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C11H14BrNO |
Molecular Weight: | 256.142 |
Synonyms: | Benzamide,p-bromo-N-butyl- (6CI);N-Butyl-4-bromobenzamide; |
Density: | 1.31 g/cm3 |
Boiling Point: | 364.2 °C at 760 mmHg |
Flash Point: | 174.1 °C |
Hazard Symbols: | Xi |
PSA: | 29.10000 |
LogP: | 3.36990 |
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The Benzamide,4-bromo-N-butyl-, with the CAS registry number 78080-34-9, is also known as N-Butyl 4-Bromobenzamide. It belongs to the product categories of blocks; Bromides; Sulfonamides. This chemical's molecular formula is C11H14BrNO and molecular weight is 256.139. What's more, its systematic name is 4-Bromo-N-butylbenzamide. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzamide,4-bromo-N-butyl- are: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 223.88; (6)ACD/BCF (pH 7.4): 223.88; (7)ACD/KOC (pH 5.5): 1673.99; (8)ACD/KOC (pH 7.4): 1673.99; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 61.46 cm3; (15)Molar Volume: 195.4 cm3; (16)Polarizability: 24.36×10-24 cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 174.1 °C; (20)Enthalpy of Vaporization: 61.04 kJ/mol; (21)Boiling Point: 364.2 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)NCCCC
(2)InChI: InChI=1/C11H14BrNO/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3,(H,13,14)
(3)InChIKey: QSUXNVNNPIUCAH-UHFFFAOYAO