China (Mainland)
5-Bromo-2-adamantanone CAS NO.20098-20-8
- FOB Price: USD: /Kilogram Get Latest Price
- Min.Order: 1 Kilogram
- Payment Terms: T/T,
- Available Specifications:
98%(1-25)Kilogram
- Product Details
Keywords
- 20098-20-8
- 5-Bromo-2-adamantanone
- adamantane
Quick Details
- ProName: 5-Bromo-2-adamantanone
- CasNo: 20098-20-8
- Molecular Formula: C10H13BrO
- Appearance: offwhite solid
- Application: 20098-20-8
- DeliveryTime: 30 days
- PackAge: 25kg
- Port: shanghai
- ProductionCapacity: 2 Metric Ton/Month
- Purity: 98%
- Storage: AMB
- Transportation: 20098-20-8
- LimitNum: 1 Kilogram
- Grade: Industrial Grade,Pharma Grade
Superiority
The IUPAC name of 5-Bromo-2-adamantanone is 5-bromoadamantan-2-one. With the CAS registry number 20098-20-8, it is also named as Tricyclo[3.3.1.13,7]decan-2-one,5-bromo-. The product's category is Adamantanes. In addition, its molecular formula is C10H13BrO and its molecular weight is 229.11.
The other characteristics of 5-Bromo-2-adamantanone can be summarized as: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 14.21; (6)ACD/BCF (pH 7.4): 14.21; (7)ACD/KOC (pH 5.5): 232.67; (8)ACD/KOC (pH 7.4): 232.67; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 50.03 cm3; (15)Molar Volume: 145 cm3; (16)Polarizability: 19.83×10-24cm3; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.579 g/cm3; (19)Flash Point: 88.4 °C; (20)Melting Point: 153 °C; (21)Enthalpy of Vaporization: 53.5 kJ/mol; (22)Boiling Point: 295.3 °C at 760 mmHg; (23)Vapour Pressure: 0.00154 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: BrC13CC2C(=O)C(C1)CC(C2)C3
(2)InChI: InChI=1/C10H13BrO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
(3)InChIKey: TXEWIOREYPSNRR-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H13BrO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
(5)Std. InChIKey: TXEWIOREYPSNRR-UHFFFAOYSA-N
Details
The IUPAC name of 5-Bromo-2-adamantanone is 5-bromoadamantan-2-one. With the CAS registry number 20098-20-8, it is also named as Tricyclo[3.3.1.13,7]decan-2-one,5-bromo-. The product's category is Adamantanes. In addition, its molecular formula is C10H13BrO and its molecular weight is 229.11.
The other characteristics of 5-Bromo-2-adamantanone can be summarized as: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 14.21; (6)ACD/BCF (pH 7.4): 14.21; (7)ACD/KOC (pH 5.5): 232.67; (8)ACD/KOC (pH 7.4): 232.67; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 50.03 cm3; (15)Molar Volume: 145 cm3; (16)Polarizability: 19.83×10-24cm3; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.579 g/cm3; (19)Flash Point: 88.4 °C; (20)Melting Point: 153 °C; (21)Enthalpy of Vaporization: 53.5 kJ/mol; (22)Boiling Point: 295.3 °C at 760 mmHg; (23)Vapour Pressure: 0.00154 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: BrC13CC2C(=O)C(C1)CC(C2)C3
(2)InChI: InChI=1/C10H13BrO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
(3)InChIKey: TXEWIOREYPSNRR-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H13BrO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
(5)Std. InChIKey: TXEWIOREYPSNRR-UHFFFAOYSA-N
