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Name |
Benzoicacid, 2-bromo-5-cyano- |
EINECS | N/A |
CAS No. | 845616-12-8 | Density | 1.822 g/cm3 |
PSA | 61.09000 | LogP | 2.01898 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H4BrNO2 | Boiling Point | 351.982 °C at 760 mmHg |
Molecular Weight | 226.029 | Flash Point | 166.673 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Bromo-5-cyanobenzoicacid; |
Article Data | 4 |
The CAS register number of Benzoicacid, 2-bromo-5-cyano- is 845616-12-8. The systematic name about this chemical is 2-bromo-5-cyano-benzoic acid. The molecular formula about this chemical is C8H4BrNO2 and the molecular weight is 226.029.
Physical properties about Benzoicacid, 2-bromo-5-cyano- are: (1)ACD/LogP: 2.46; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 61.09 Å2; (10)Index of Refraction: 1.651; (11)Molar Refractivity: 45.317 cm3; (12)Molar Volume: 124.08 cm3; (13)Polarizability: 17.965x10-24cm3; (14)Surface Tension: 74.508 dyne/cm; (15)Density: 1.822 g/cm3; (16)Flash Point: 166.673 °C; (17)Enthalpy of Vaporization: 62.973 kJ/mol; (18)Boiling Point: 351.982 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1C#N)C(=O)O)Br
(2)InChI: InChI=1/C8H4BrNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3H,(H,11,12)
(3)InChIKey: LFMSICZVBGWOIA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H4BrNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3H,(H,11,12)
(5)Std. InChIKey: LFMSICZVBGWOIA-UHFFFAOYSA-N