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| CAS No.: | 60023-35-0 |
|---|---|
| Name: | Pyrazine, (bromomethyl)- (9CI) |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C5H5BrN2 |
| Molecular Weight: | 173.01 |
| Synonyms: | Pyrazine,(bromomethyl)- (9CI);2-(Bromomethyl)pyrazine; |
| Density: | 1.642 g/cm3 |
| Boiling Point: | 216.916 °C at 760 mmHg |
| Flash Point: | 84.988 °C |
| PSA: | 25.78000 |
| LogP: | 1.37150 |
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- Total:27 Page 1 of 1 1
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Specification
This chemical is called Pyrazine, 2-(bromomethyl)-, and its systematic name is 2-(bromomethyl)pyrazine. With the molecular formula of C5H5BrN2, its molecular weight is 173.01. The CAS registry number of this chemical is 60023-35-0. Additionally, its product category is Pyrazines.
Other characteristics of the Pyrazine, 2-(bromomethyl)- can be summarised as followings: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 40; (8)ACD/KOC (pH 7.4): 40; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 35.084 cm3; (15)Molar Volume: 105.373 cm3; (16)Polarizability: 13.908×10-24cm3; (17)Surface Tension: 53.153 dyne/cm; (18)Density: 1.642 g/cm3; (19)Flash Point: 84.988 °C; (20)Enthalpy of Vaporization: 43.482 kJ/mol; (21)Boiling Point: 216.916 °C at 760 mmHg; (22)Vapour Pressure: 0.201 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: BrCc1cnccn1
2.InChI: InChI=1/C5H5BrN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2
3.InChIKey: VNMORBLLLTZLLT-UHFFFAOYAN