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| CAS No.: | 143111-81-3 |
|---|---|
| Name: | 2,2-Dibromo-3-cyanopropionamide |
| Molecular Structure: | |
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| Formula: | C4H4Br2N2O |
| Molecular Weight: | 255.90 |
| Synonyms: | 2,2-DIBROMO-3-CYANOPROPIONAMIDE ;Biocide B2 |
| Density: | 2.222 g/cm3 |
| Boiling Point: | 320.588 °C at 760 mmHg |
| Flash Point: | 147.687 °C |
| PSA: | 66.88000 |
| LogP: | 1.57178 |
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- Total:19 Page 1 of 1 1
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Specification
The Propanamide,2,2-dibromo-3-cyano- has CAS registry number 143111-81-3. This chemical's molecular formula is C4H4Br2N2O and molecular weight is 255.90. What's more, its IUPAC name is 2,2-dibromo-3-cyanopropanamide.
Physical properties of Propanamide,2,2-dibromo-3-cyano- are: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 104; (8)ACD/KOC (pH 7.4): 104; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.88 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 39.488 cm3; (15)Molar Volume: 115.154 cm3; (16)Polarizability: 15.654×10-24cm3; (17)Surface Tension: 69.976 dyne/cm; (18)Density: 2.222 g/cm3; (19)Flash Point: 147.687 °C; (20)Enthalpy of Vaporization: 56.227 kJ/mol; (21)Boiling Point: 320.588 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(Br)(C(=O)N)CC#N
(2)Std. InChI: InChI=1S/C4H4Br2N2O/c5-4(6,1-2-7)3(8)9/h1H2,(H2,8,9)
(3)Std. InChIKey: MLQBZPKXXHILCJ-UHFFFAOYSA-N