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| CAS No.: | 116435-77-9 |
|---|---|
| Name: | 2-Amino-3-bromophenol |
| Molecular Structure: | |
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| Formula: | C6H6BrNO |
| Molecular Weight: | 188.024 |
| Synonyms: | 2-Bromo-6-hydroxyaniline; |
| Density: | 1.768 g/cm3 |
| Melting Point: | 138℃ |
| Boiling Point: | 266.2 °C at 760 mmHg |
| Flash Point: | 114.8 °C |
| Hazard Symbols: |
 T
|
| PSA: | 46.25000 |
| LogP: | 2.31810 |
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Specification
The 2-Amino-3-bromophenol, with the CAS registry number 116435-77-9, is also known as 2-Bromo-6-hydroxyaniline. This chemical's molecular formula is C6H6BrNO and molecular weight is 188.02. What's more, its systematic name is 2-amino-3-bromophenol.
Physical properties of 2-Amino-3-bromophenol are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 22.19; (6)ACD/BCF (pH 7.4): 21.42; (7)ACD/KOC (pH 5.5): 319.81; (8)ACD/KOC (pH 7.4): 308.67; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 40.06 cm3; (15)Molar Volume: 106.3 cm3; (16)Polarizability: 15.88×10-24 cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.768 g/cm3; (19)Flash Point: 114.8 °C; (20)Enthalpy of Vaporization: 52.45 kJ/mol; (21)Boiling Point: 266.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00534 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Oc1cccc(Br)c1N
(2)InChI: InChI=1/C6H6BrNO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,8H2
(3)InChIKey: JBNSVEGZVHJLMS-UHFFFAOYAG