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| CAS No.: | 921939-06-2 |
|---|---|
| Name: | 2-Bromofuran-3-carbonitrile |
| Molecular Structure: | |
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| Formula: | C5H2BrNO |
| Molecular Weight: | 171.9795 |
| Synonyms: | 2-bromofuran-3-carbonitrile;2-Bromo-3-furonitrile; |
| Density: | 1.8 g/cm3 |
| Melting Point: | 45.5-47 |
| Boiling Point: | 242.9 °C at 760 mmHg |
| Flash Point: | 100.7 °C |
| PSA: | 36.93000 |
| LogP: | 1.91378 |
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- Total:8 Page 1 of 1 1
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Specification
The 3-Furancarbonitrile,2-bromo-, with the CAS registry number 921939-06-2, has the systematic name of 2-bromofuran-3-carbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H2BrNO.
The characteristics of 3-Furancarbonitrile,2-bromo- are as followings: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56 ; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 36.93 Å2; (9)Index of Refraction: 1.576; (10)Molar Refractivity: 31.52 cm3; (11)Molar Volume: 95.1 cm3; (12)Polarizability: 12.49×10-24cm3; (13)Surface Tension: 55.1 dyne/cm; (14)Density: 1.8 g/cm3; (15)Flash Point: 100.7 °C; (16)Enthalpy of Vaporization: 47.99 kJ/mol; (17)Boiling Point: 242.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0332 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1coc(c1C#N)Br
(2)InChI: InChI=1/C5H2BrNO/c6-5-4(3-7)1-2-8-5/h1-2H
(3)InChIKey: NVOHYBBWRRHLKB-UHFFFAOYAF