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CAS No.: | 38191-34-3 |
---|---|
Name: | 2-AMINO-5-BROMOPHENOL |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C6H6BrNO |
Molecular Weight: | 188.024 |
Synonyms: | 2-Amino-5-bromophenol;4-Bromo-2-hydroxyaniline; |
Density: | 1.768 g/cm3 |
Melting Point: | 146-147 °C |
Boiling Point: | 265.046 °C at 760 mmHg |
Flash Point: | 114.096 °C |
Appearance: | white to light yellow solid |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 46.25000 |
LogP: | 2.31810 |
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This product is an organic compound with the formula C6H6BrNO. The IUPAC name of this chemical is 2-amino-5-bromophenol. With the CAS registry number 38191-34-3, it is also named as Phenol, 2-amino-5-bromo-. It is white to light yellow solid. In addition, the molecular weight is 188.02.
The other characteristics of 2-Amino-5-bromophenol can be summarized as: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 257; (8)ACD/KOC (pH 7.4): 256; (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)Surface Tension: 62.21 dyne/cm; (17)Enthalpy of Vaporization: 52.323 kJ/mol; (18)Vapour Pressure: 0.006 mmHg at 25°C; (19)Tautomer Count: 7; (20)Exact Mass: 186.963276; (21)MonoIsotopic Mass: 186.963276; (22)Topological Polar Surface Area: 46.2; (23)Heavy Atom Count: 9; (24)Complexity: 99.1.
People can use the following data to convert to the molecule structure.
1. SMILES:Oc1cc(Br)ccc1N
2. InChI:InChI=1/C6H6BrNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2
3. InChIKey:DRQWUAAWZFIVTF-UHFFFAOYAW
4. Std. InChI:InChI=1S/C6H6BrNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2
5. Std. InChIKey:DRQWUAAWZFIVTF-UHFFFAOYSA-N