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CAS No.: | 135427-08-6 |
---|---|
Name: | 4-Fluoro-3-methylbenzaldehyde |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H7FO |
Molecular Weight: | 138.141 |
Synonyms: | 3-Methyl-4-fluorobenzaldehyde;4-Fluoro-3-methylbenzaldehyde; |
EINECS: | -0 |
Density: | 1.136 g/cm3 |
Boiling Point: | 203.564 °C at 760 mmHg |
Flash Point: | 85.808 °C |
Solubility: | Slightly soluble in water. |
Appearance: | yellow-greenish liquid or low melting solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 17.07000 |
LogP: | 1.94660 |
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The 4-fluoro-3-methylbenzaldehyde is an organic compound with the formula C8H7FO. The IUPAC name of this chemical is 4-fluoro-3-methylbenzaldehyde. With the CAS registry number 135427-08-6, it is also named as ldehyde, 4-fluoro-3-methyl-. The product's categories are Fluorin-contained Benzaldehyde Series; Aldehyde; Benzaldehyde; Miscellaneous; Aldehydes; C8; Carbonyl Compounds. Besides, it should be stored in a closed place at temperature of 4 °C.
Physical properties about 4-fluoro-3-methylbenzaldehyde are: (1)ACD/LogP: 2.16; (2)ACD/LogD (pH 5.5): 2.163; (3)ACD/LogD (pH 7.4): 2.163; (4)ACD/BCF (pH 5.5): 25.917; (5)ACD/BCF (pH 7.4): 25.917; (6)ACD/KOC (pH 5.5): 357.656; (7)ACD/KOC (pH 7.4): 357.656; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 37.824 cm3; (13)Molar Volume: 121.584 cm3; (14)Polarizability: 14.995×10-24cm3; (15)Surface Tension: 35.654 dyne/cm; (16)Density: 1.136 g/cm3; (17)Flash Point: 85.808 °C; (18)Enthalpy of Vaporization: 43.979 kJ/mol; (19)Boiling Point: 203.564 °C at 760 mmHg; (20)Vapour Pressure: 0.276 mmHg at 25°C.
Uses of 4-fluoro-3-methylbenzaldehyde: it can be used to produce 4-fluoro-3-methylbenzonitrile by heating. It will need reagent nitroethane, pyridinium hydrochloride with reaction time of 24 hours. The yield is about 33%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(ccc1F)C=O
(2)InChI: InChI=1/C8H7FO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
(3)InChIKey: NRFKZFFVTGGEQF-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H7FO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
(5)Std. InChIKey: NRFKZFFVTGGEQF-UHFFFAOYSA-N