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| CAS No.: | 60666-70-8 |
|---|---|
| Name: | 2-Bromo-5-chlorobenzyl alcohol |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C7H6BrClO |
| Molecular Weight: | 221.481 |
| Synonyms: | Benzenemethanol, 2-bromo-5-chloro-; |
| Density: | 1.685 g/cm3 |
| Melting Point: | 81-83 °C |
| Boiling Point: | 290.1 °C at 760 mmHg |
| Flash Point: | 129.3 °C |
| PSA: | 20.23000 |
| LogP: | 2.59480 |
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
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- Total:35 Page 1 of 1 1
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Specification
The 2-Bromo-5-chlorobenzyl alcohol, with the CAS registry number 60666-70-8, is also known as Benzenemethanol, 2-bromo-5-chloro-. It belongs to the product categories of Alcohols; Bromine Compounds; Chlorine Compounds. This chemical's molecular formula is C7H6BrClO and molecular weight is 221.47894. What's more, its IUPAC name is (2-Bromo-5-chlorophenyl)methanol.
Physical properties about 2-Bromo-5-chlorobenzyl alcohol are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.34; (6)ACD/BCF (pH 7.4): 35.34; (7)ACD/KOC (pH 5.5): 446.53; (8)ACD/KOC (pH 7.4): 446.52; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 45.28 cm3; (15)Molar Volume: 131.3 cm3; (16)Polarizability: 17.95×10-24 cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.685 g/cm3; (19)Flash Point: 129.3 °C; (20)Enthalpy of Vaporization: 55.92 kJ/mol; (21)Boiling Point: 290.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000972 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cc(Cl)ccc1Br
(2) InChI: InChI=1/C7H6BrClO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2
(3) InChIKey: YOLUSOFTODTRQV-UHFFFAOYAY