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| CAS No.: | 643-58-3 |
|---|---|
| Name: | 2-Phenyltoluene |
| Molecular Structure: | |
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| Formula: | C13H12 |
| Molecular Weight: | 168.238 |
| Synonyms: | Biphenyl,2-methyl- (8CI);2-Methyl-1,1'-biphenyl;2-Methylbiphenyl;NSC5321;o-Methylbiphenyl;o-Phenyltoluene; |
| EINECS: | 211-400-1 |
| Density: | 0.984 g/cm3 |
| Melting Point: | 255.3ºC |
| Boiling Point: | 257.954 °C at 760 mmHg |
| Flash Point: | 105.49 °C |
| Solubility: | soluble in ethanol and ether |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 0.00000 |
| LogP: | 3.66200 |
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Specification
The 2-Phenyltoluene, with the CAS registry number 643-58-3, is also known as o-Methylbiphenyl. It belongs to the product categories of Biphenyl & Diphenyl ether; Arenes; Building Blocks; Chemical Synthesis; Organic Building Blocks. Its EINECS number is 211-400-1. This chemical's molecular formula is C13H12 and molecular weight is 168.24. What's more, its systematic name is 2-Methylbiphenyl. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides and fire.
Physical properties of 2-Phenyltoluene are: (1)ACD/LogP: 4.634; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.63; (4)ACD/LogD (pH 7.4): 4.63; (5)ACD/BCF (pH 5.5): 1959.12; (6)ACD/BCF (pH 7.4): 1959.12; (7)ACD/KOC (pH 5.5): 7907.77; (8)ACD/KOC (pH 7.4): 7907.77; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 55.67 cm3; (14)Molar Volume: 170.993 cm3; (15)Polarizability: 22.069×10-24cm3; (16)Surface Tension: 35.8 dyne/cm; (17)Density: 0.984 g/cm3; (18)Flash Point: 105.49 °C; (19)Enthalpy of Vaporization: 47.552 kJ/mol; (20)Boiling Point: 257.954 °C at 760 mmHg; (21)Vapour Pressure: 0.02 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-Methyl-6-(trimethylsiyl)biphenyl by heating. This reaction will need reagents 60percent H2SO4, glacial acetic acid and solvent CCl4 with the reaction time of 15 hours. The yield is about 83%.
Uses of 2-Phenyltoluene: it can be used to produce 2-phenyl-benzyl bromide by irradiation. It will need reagent N-bromosuccinimide and solvent CCl4 with the reaction time of 3 hours. The yield is about 85%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection. Moreover, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: c2c(c1ccccc1C)cccc2
(2)Std. InChI: InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3
(3)Std. InChIKey: ALLIZEAXNXSFGD-UHFFFAOYSA-N