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| CAS No.: | 848358-81-6 |
|---|---|
| Name: | 2-amino-4-bromo-5-methylphenol |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H8BrNO |
| Molecular Weight: | 202.051 |
| Synonyms: | m-Cresol,6-amino-4-bromo- (1CI);2-Amino-4-bromo-5-methylphenol; |
| Density: | 1.647 g/cm3 |
| Boiling Point: | 288.3 °C at 760 mmHg |
| Flash Point: | 128.1 °C |
| PSA: | 46.25000 |
| LogP: | 2.62650 |
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- Total:23 Page 1 of 1 1
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Specification
The Phenol,2-amino-4-bromo-5-methyl- has the CAS registry number 848358-81-6. This chemical's molecular formula is C7H8BrNO and molecular weight is 202.05. What's more, its systematic name is 2-amino-4-bromo-5-methylphenol.
Physical properties of Phenol,2-amino-4-bromo-5-methyl- are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 31.55; (6)ACD/BCF (pH 7.4): 32.57; (7)ACD/KOC (pH 5.5): 406.41; (8)ACD/KOC (pH 7.4): 419.59; (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: 1.653; (14)Molar Refractivity: 44.88 cm3; (15)Molar Volume: 122.6 cm3; (16)Polarizability: 17.79×10-24cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.647 g/cm3; (19)Flash Point: 128.1 °C; (20)Enthalpy of Vaporization: 54.87 kJ/mol; (21)Boiling Point: 288.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00136 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(C)c(Br)cc1N
(2)InChI: InChI=1/C7H8BrNO/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,9H2,1H3
(3)InChIKey: OVFOSMHDFYXTCQ-UHFFFAOYAE