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CAS No.: | 2736-37-0 |
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Name: | ISOBUTYRYL BROMIDE |
Molecular Structure: | |
Formula: | C4H7BrO |
Molecular Weight: | 151.003 |
Synonyms: | Isobutanoyl bromide;2-Methylpropionyl bromide;Isobutyrylbromide (6CI,7CI,8CI); |
Density: | 1.434 g/cm3 |
Boiling Point: | 117.3 °C at 760 mmHg |
Flash Point: | 48 °C |
Risk Codes: | 10-34 |
Safety: | 16-26-36/37/39 |
PSA: | 17.07000 |
LogP: | 1.56390 |
The Propanoyl bromide,2-methyl- is an organic compound with the formula C4H7BrO. The systematic name of this chemical is 2-methylpropanoyl bromide. With the CAS registry number 2736-37-0, it is also named as Isobutyryl Bromide. Besides, it should be stored in a closed cool and dry place.
Physical properties about Propanoyl bromide,2-methyl- are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 1.5; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 8.14; (5)ACD/BCF (pH 7.4): 8.14; (6)ACD/KOC (pH 5.5): 156.18; (7)ACD/KOC (pH 7.4): 156.18; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.45; (12)Molar Refractivity: 28.3 cm3; (13)Molar Volume: 105.2 cm3; (14)Polarizability: 11.21×10-24cm3; (15)Surface Tension: 29.7 dyne/cm; (16)Density: 1.434 g/cm3; (17)Flash Point: 48 °C; (18)Enthalpy of Vaporization: 35.56 kJ/mol; (19)Boiling Point: 117.3 °C at 760 mmHg; (20)Vapour Pressure: 17.6 mmHg at 25°C.
Uses of Propanoyl bromide,2-methyl-: it can be used to produce N-(2-methylpropyl)indoline. The yield is about 60%.
When you are using this chemical, please be cautious about it as the following:
It is flammable. Please keep away from sources of ignition - No smoking. Besides, this chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(=O)C(C)C
(2)InChI: InChI=1/C4H7BrO/c1-3(2)4(5)6/h3H,1-2H3
(3)InChIKey: ICNCZFQYZKPYMS-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C4H7BrO/c1-3(2)4(5)6/h3H,1-2H3
(5)Std. InChIKey: ICNCZFQYZKPYMS-UHFFFAOYSA-N