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CAS No.: | 149104-89-2 |
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Name: | (4-Bromo-3-methylphenyl)methanol |
Molecular Structure: | |
Formula: | C8H9BrO |
Molecular Weight: | 201.063 |
Synonyms: | (4-BROMO-3-METHYLPHENYL)METHANOL;4-Bromo-3-methylbenzyl alcohol |
Density: | 1.482 g/cm3 |
Melting Point: | 31-32℃ |
Boiling Point: | 282.701 °C at 760 mmHg |
Flash Point: | 124.774 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 20.23000 |
LogP: | 2.24980 |
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The (4-Bromo-3-methylphenyl)methanol, with the CAS registry number 149104-89-2, is also known as Benzenemethanol, 4-bromo-3-methyl-. This chemical's molecular formula is C8H9BrO and molecular weight is 201.0605. Its systematic name is called (4-bromo-3-methylphenyl)methanol.
Physical properties of (4-Bromo-3-methylphenyl)methanol: (1)ACD/LogP: 2.49; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 31; (5)ACD/BCF (pH 7.4): 31; (6)ACD/KOC (pH 5.5): 407; (7)ACD/KOC (pH 7.4): 407; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 45.219 cm3; (13)Molar Volume: 135.71 cm3; (14)Surface Tension: 43.716 dyne/cm; (15)Density: 1.482 g/cm3; (16)Flash Point: 124.774 °C; (17)Enthalpy of Vaporization: 55.09 kJ/mol; (18)Boiling Point: 282.701 °C at 760 mmHg; (19)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(CO)ccc1Br
(2)InChI: InChI=1/C8H9BrO/c1-6-4-7(5-10)2-3-8(6)9/h2-4,10H,5H2,1H3
(3)InChIKey: HBSHHYYUASJVCG-UHFFFAOYAH