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CAS No.: | 17247-58-4 |
---|---|
Name: | (Bromomethyl)cyclobutane |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C5H9Br |
Molecular Weight: | 149.03 |
Synonyms: | Bromocyclobutylmethane;Cyclobutylmethyl bromide;(Bromomethyl)cyclobutane; |
Density: | 1.416 g/cm3 |
Boiling Point: | 124 °C at 760 mmHg |
Flash Point: | 43.9 °C |
Solubility: | 80mg/L at 20℃ |
Appearance: | colorless or light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 10-36/37/38 |
Safety: | 16-26-36 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 0.00000 |
LogP: | 2.18140 |
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The (Bromomethyl)cyclobutane, with the CAS registry number 17247-58-4, is also known as Cyclobutane, (bromomethyl)-. It belongs to the product category of Cycloalkanes. This chemical's molecular formula is C5H9Br and molecular weight is 149.03. Its IUPAC name is called bromomethylcyclobutane. (Bromomethyl)cyclobutane can be used for pharmaceutical intermediates.
Physical properties of (Bromomethyl)cyclobutane:
(1)ACD/LogP: 2.61; (2)ACD/LogD (pH 5.5): 2.61; (3)ACD/LogD (pH 7.4): 2.61; (4)ACD/BCF (pH 5.5): 56.75; (5)ACD/BCF (pH 7.4): 56.75; (6)ACD/KOC (pH 5.5): 626.73; (7)ACD/KOC (pH 7.4): 626.73; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.498; (10)Molar Refractivity: 30.87 cm3; (11)Molar Volume: 105.2 cm3; (12)Surface Tension: 35.3 dyne/cm; (13)Density: 1.416 g/cm3; (14)Flash Point: 43.9 °C; (15)Enthalpy of Vaporization: 34.7 kJ/mol; (16)Boiling Point: 124 °C at 760 mmHg; (17)Vapour Pressure: 15.7 mmHg at 25°C.
Preparation of (Bromomethyl)cyclobutane:
(Bromomethyl)cyclobutane can be prepared by Cyclobutyl-methanol. This reaction will need reagents PPh3, Br2 and solvent dimethylformamide. The yield is about 71%.
Uses of (Bromomethyl)cyclobutane:
It can be used to produce 17-(cyclobutylmethyl)-4-hydroxy-3-methoxy-7a-methylmorphinan-6-one at temperature of 100 °C. This reaction will need reagent NaHCO3 and solvent dimethylformamide with reaction time of 8 hours. The yield is about 99%.
When you are using (Bromomethyl)cyclobutane, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(C1)CBr
(2)InChI: InChI=1S/C5H9Br/c6-4-5-2-1-3-5/h5H,1-4H2
(3)InChIKey: FLHFTXCMKFVKRP-UHFFFAOYSA-N