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| CAS No.: | 944709-63-1 |
|---|---|
| Name: | 6-BROMO-2,3-DIHYDROBENZOFURAN-3-AMINE HYDROCHLORIDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H8BrNO.HCl |
| Molecular Weight: | 214.062 |
| Synonyms: | 6-bromo-2,3-dihydrobenzofuran-3-amine hydrochloride;6-Bromo-2,3-dihydrobenzofuran-3-amine HCl; |
| Density: | 1.605 |
| Boiling Point: | 298.8 °C at 760 mmHg |
| Flash Point: | 134.5 °C |
| PSA: | 35.25000 |
| LogP: | 3.34360 |
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Specification
The 6-Bromo-2,3-dihydrobenzofuran-3-amine, with the CAS registry number 944709-63-1, has the systematic name of 6-bromo-2,3-dihydrobenzofuran-3-amine hydrochloride. The molecular formula of the chemical is C8H8BrNO.HCl.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.93 ; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 35.25 Å2; (8)Flash Point: 134.5 °C; (9)Enthalpy of Vaporization: 54.95 kJ/mol; (10)Boiling Point: 298.8 °C at 760 mmHg; (11)Vapour Pressure: 0.00093 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.Brc1ccc2c(c1)OCC2N
(2)InChI: InChI=1/C8H8BrNO.ClH/c9-5-1-2-6-7(10)4-11-8(6)3-5;/h1-3,7H,4,10H2;1H
(3)InChIKey: BTTOLFCXRXFGKD-UHFFFAOYAH