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| CAS No.: | 20712-12-3 |
|---|---|
| Name: | (2-AMINO-5-BROMOPHENYL)METHANOL |
| Article Data: | 55 |
| Molecular Structure: | |
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| Formula: | C7H8BrNO |
| Molecular Weight: | 202.051 |
| Synonyms: | Benzylalcohol,2-amino-5-bromo- (8CI);(2-Amino-5-bromophenyl)methanol;2-Amino-5-bromobenzyl alcohol;4-Bromo-2-(hydroxymethyl)aniline; |
| Density: | 1.66 g/cm3 |
| Boiling Point: | 329.556 °C at 760 mmHg |
| Flash Point: | 153.11 °C |
| PSA: | 46.25000 |
| LogP: | 2.10480 |
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Specification
The Benzenemethanol, 2-amino-5-bromo-, with the CAS registry number 20712-12-3, is also known as 2-Amino-5-bromobenzyl alcohol. This chemical's molecular formula is C7H8BrNO and molecular weight is 202.05. What's more, its systematic name is (2-Amino-5-bromophenyl)methanol.
Physical properties about Benzenemethanol, 2-amino-5-bromo- are: (1)ACD/LogP: 0.82; (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): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 70 ; (8)ACD/KOC (pH 7.4): 71; (9)#H bond acceptors: 2 ; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 44.63 cm3; (15)Molar Volume: 121.715 cm3 ; (16)Polarizability: 17.693×10-24 cm3; (17)Surface Tension: 58.87 dyne/cm; (18)Density: 1.66 g/cm3; (19)Flash Point: 153.11 °C; (20)Enthalpy of Vaporization: 60.385 kJ/mol; (21)Boiling Point: 329.556 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(c(N)cc1)CO
(2) InChI: InChI=1/C7H8BrNO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4,9H2
(3) InChIKey: GDCWZYRWKSOYGQ-UHFFFAOYAW