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CAS No.: | 158627-59-9 |
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Name: | 4-AMINOCATECHOL HBR |
Molecular Structure: | |
Formula: | C6H8BrNO2 |
Molecular Weight: | 206.039 |
Synonyms: | 1,2-Benzenediol,4-amino-, hydrobromide (9CI);Pyrocatechol, 4-amino-, hydrobromide (2CI); |
Melting Point: | 255-260 °C (decomp)(Solv: ethanol, 85% (64-17-5)) |
Boiling Point: | 363.8 °C at 760mmHg |
Flash Point: | 173.8 °C |
PSA: | 66.48000 |
LogP: | 2.21930 |
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This chemical is called 1,2-Benzenediol,4-amino-, hydrobromide (1:1), and its systematic name is 4-aminobenzene-1,2-diol hydrobromide. With the molecular formula of C6H8BrNO2, its molecular weight is 206.04. The CAS registry number of this chemical is 158627-59-9. Additionally, its product category is Pharmacetical.
Other characteristics of the 1,2-Benzenediol,4-amino-, hydrobromide (1:1) can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 66.48 Å2; (5)Flash Point: 173.8 °C; (6)Enthalpy of Vaporization: 63.39 kJ/mol; (7)Boiling Point: 363.8 °C at 760 mmHg; (8)Vapour Pressure: 8.38E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Br.Nc1cc(O)c(O)cc1
2.InChI: InChI=1/C6H7NO2.BrH/c7-4-1-2-5(8)6(9)3-4;/h1-3,8-9H,7H2;1H
3.InChIKey: CMAHPMGEFWJMCI-UHFFFAOYAF