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| CAS No.: | 2928-43-0 |
|---|---|
| Name: | 2-BIPHENYLMETHANOL |
| Article Data: | 63 |
| Molecular Structure: | |
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| Formula: | C13H12O |
| Molecular Weight: | 184.238 |
| Synonyms: | 2-Biphenylmethanol(6CI,7CI);(Biphenyl-2-yl)methyl alcohol;1-Hydroxymethyl-2-phenylbenzene;2-(Hydroxymethyl)biphenyl;2-Hydroxymethyl-1,1'-biphenyl;2-Phenylbenzylalcohol;Biphenyl-2-ylmethanol;NSC 97773; |
| EINECS: | 220-892-7 |
| Density: | 1.093 g/cm3 |
| Melting Point: | 46-48 ºC |
| Boiling Point: | 335.1 °C at 760 mmHg |
| Flash Point: | 162.3 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-24/25-36-26 |
| PSA: | 20.23000 |
| LogP: | 2.84590 |
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Specification
The 2-Biphenylmethanol, with the CAS registry number 2928-43-0, is also known as 2-(Hydroxymethyl)biphenyl and 2-Hydroxymethyl-1,1'-biphenyl. It belongs to the product category of Biphenyl Derivatives. Its EINECS registry number is 220-892-7. This chemical's molecular formula is C13H12O and molecular weight is 184.23. What's more, its IUPAC name is (2-Phenylphenyl)methanol and systematic name is called Biphenyl-2-ylmethanol. In addition, this chemical is white crystalline powder.
Physical properties about this chemical are: (1) ACD/LogP: 2.79; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.79; (4) ACD/LogD (pH 7.4): 2.79; (5) ACD/BCF (pH 5.5): 77.97; (6) ACD/BCF (pH 7.4): 77.97; (7) ACD/KOC (pH 5.5): 786.75; (8) ACD/KOC (pH 7.4): 786.75; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 9.23 Å2; (13) Index of Refraction: 1.595; (14) Molar Refractivity: 57.29 cm3; (15) Molar Volume: 168.5 cm3; (16) Surface Tension: 44 dyne/cm; (17) Density: 1.093 g/cm3; (18) Flash Point: 162.3 °C; (19) Enthalpy of Vaporization: 61.02 kJ/mol; (20) Boiling Point: 335.1 °C at 760 mmHg; (21) Vapour Pressure: 4.83E-05 mmHg at 25 °C; (22) Melting point: 46-48 ºC.
Preparation of 2-Biphenylmethanol: this chemical is prepared by reaction of Phenylboronic acid with 2-Bromo-benzyl alcohol.
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This reaction needs reagent 2-(Di-tert-butylphosphino)biphenyl, KF and solvent Tetrahydrofuran at temperature of 50 °C. The reaction time is 11 hours. The yield is 88 %.
Uses of 2-Biphenylmethanol: it is used to produce other chemicals. For example, it is used to produce 2-Phenyl-benzyl bromide.
The reaction occurs with reagent Hydrobromic acid and other condition of 100 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed.Therefore, you should avoid contacting with skin, eyes and wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: C1=CC=C(C=C1)C2=CC=CC=C2CO
(2) InChI: InChI=1S/C13H12O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9,14H,10H2
(3) InChIKey: VKTQADPEPIVMHK-UHFFFAOYSA-N