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| CAS No.: | 16750-67-7 |
|---|---|
| Name: | 4-AMINO-2-BROMOPHENOL |
| Molecular Structure: | |
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| Formula: | C6H6BrNO |
| Molecular Weight: | 188.024 |
| Synonyms: | 2-Bromo-4-aminophenol;4-Amino-2-bromophenol; |
| EINECS: | 685-751-8 |
| Density: | 1.768 g/cm3 |
| Melting Point: | 165 °C(Solv: benzene (71-43-2)) |
| Boiling Point: | 288.864 °C at 760 mmHg |
| Flash Point: | 128.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 26 |
| PSA: | 46.25000 |
| LogP: | 2.31810 |
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Specification
The Phenol,4-amino-2-bromo-, with CAS registry number 16750-67-7, has the systematic name of 4-amino-2-bromophenol. Besides this, it is also called 3-Bromo-4-hydroxyaniline. And the chemical formula of this chemical is C6H6BrNO.
Physical properties of Phenol,4-amino-2-bromo-: (1)ACD/LogP: 1.06; (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): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 89; (8)ACD/KOC (pH 7.4): 89; (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: 40.061 cm3; (15)Molar Volume: 106.328 cm3; (16)Polarizability: 15.881×10-24cm3; (17)Surface Tension: 62.21 dyne/cm; (18)Density: 1.768 g/cm3; (19)Flash Point: 128.5 °C; (20)Enthalpy of Vaporization: 54.931 kJ/mol; (21)Boiling Point: 288.864 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(Br)c(O)cc1
(2)InChI: InChI=1/C6H6BrNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
(3)InChIKey: CBQJZWGBFZAUEV-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H6BrNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
(5)Std. InChIKey: CBQJZWGBFZAUEV-UHFFFAOYSA-N