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CAS No.: | 60710-39-6 |
---|---|
Name: | 3-BROMO-4-METHYLPHENOL |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C7H7BrO |
Molecular Weight: | 187.036 |
Synonyms: | 2-Bromo-4-hydroxytoluene;3-Bromo-4-methylphenol; |
Density: | 1.554 g/cm3 |
Melting Point: | 54-57°C |
Boiling Point: | 244.6 °C at 760 mmHg |
Flash Point: | 101.7 °C |
Solubility: | Slightly soluble in water. |
PSA: | 20.23000 |
LogP: | 2.46310 |
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The Phenol,3-bromo-4-methyl-, with CAS registry number 60710-39-6, has the systematic name of 3-bromo-4-methylphenol. And the chemical formula of this chemical is C7H7BrO. Its molecular weight is 187.03.
Physical properties of Phenol,3-bromo-4-methyl-: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 131.34; (6)ACD/BCF (pH 7.4): 129.74; (7)ACD/KOC (pH 5.5): 1142.7; (8)ACD/KOC (pH 7.4): 1128.8; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 40.64 cm3; (15)Molar Volume: 120.3 cm3; (16)Polarizability: 16.11×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.554 g/cm3; (19)Flash Point: 101.7 °C; (20)Enthalpy of Vaporization: 50.12 kJ/mol; (21)Boiling Point: 244.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0193 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(O)ccc1C
(2)InChI: InChI=1/C7H7BrO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
(3)InChIKey: GMZKNRDHSHYMHG-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H7BrO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
(5)Std. InChIKey: GMZKNRDHSHYMHG-UHFFFAOYSA-N