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| CAS No.: | 13319-71-6 |
|---|---|
| Name: | 6-BROMO-O-CRESOL |
| Article Data: | 41 |
| Molecular Structure: | |
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| Formula: | C7H7BrO |
| Molecular Weight: | 187.036 |
| Synonyms: | o-Cresol,6-bromo- (6CI,8CI);2-Bromo-6-methylphenol;2-Methyl-6-bromophenol;6-Bromo-o-cresol; |
| Density: | 1.554 g/cm3 |
| Melting Point: | 16 °C |
| Boiling Point: | 207.894 °C at 760 mmHg |
| Flash Point: | 79.532 °C |
| PSA: | 20.23000 |
| LogP: | 2.46310 |
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Specification
The 2-Bromo-6-methylphenol, with the CAS registry number 13319-71-6, is also known as 6-Bromo-o-cresol and Phenol, 2-bromo-6-methyl-. This chemical's molecular formula is C7H7BrO and formula weight is 187.03. What's more, its systematic name is called 2-Bromo-6-methylphenol.
Physical properties about this chemical are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 99; (6)ACD/BCF (pH 7.4): 95; (7)ACD/KOC (pH 5.5): 935; (8)ACD/KOC (pH 7.4): 898; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 40.65 cm3; (15)Molar Volume: 120.323 cm3; (16)Surface Tension: 44.304 dyne/cm; (17)Density: 1.554 g/cm3; (18)Flash Point: 79.532 °C; (19)Melting Point: 16 °C; (20)Enthalpy of Vaporization: 46.228 kJ/mol; (21)Boiling Point: 207.894 °C at 760 mmHg; (22)Vapour Pressure: 0.153 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(Br)c1O
(2)InChI: InChI=1/C7H7BrO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3
(3)InChIKey: YXZPTVOCJLCMRO-UHFFFAOYAX