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| CAS No.: | 80141-91-9 |
|---|---|
| Name: | 4-Fluoro-2-methylbenzyl alcohol |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H9FO |
| Molecular Weight: | 140.157 |
| Synonyms: | 4-Fluoro-2-methylbenzenemethanol;Benzenemethanol, 4-fluoro-2-methyl-; |
| Density: | 1.132 g/cm3 |
| Boiling Point: | 226.3 °C at 760 mmHg |
| Flash Point: | 111.5 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 20.23000 |
| LogP: | 1.62640 |
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Specification
The IUPAC name of 4-Fluoro-2-methylbenzyl alcohol is (4-fluoro-2-methylphenyl)methanol. With the CAS registry number 80141-91-9, it is also named as Benzenemethanol, 4-fluoro-2-methyl-. The product's categories are Alcohols; Fluorine Compounds. In addition, its molecular formula is C8H9FO and molecular weight is 140.15.
The other characteristics of 4-Fluoro-2-methylbenzyl alcohol can be summarized as: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.518; (8)Molar Refractivity: 37.52 cm3; (9)Molar Volume: 123.7 cm3; (10)Polarizability: 14.87×10-24cm3; (11)Surface Tension: 37.2 dyne/cm; (12)Density: 1.132 g/cm3; (13)Flash Point: 111.5 °C; (14)Enthalpy of Vaporization: 48.92 kJ/mol; (15)Boiling Point: 226.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0468 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1cc(c(cc1)CO)C
(2)InChI: InChI=1/C8H9FO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3
(3)InChIKey: YSULUXOLTMBSFF-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H9FO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3
(5)Std. InChIKey: YSULUXOLTMBSFF-UHFFFAOYSA-N