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CAS No.: | 286474-59-7 | ||||||||||
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Name: | 6-Chloro-2-fluoro-3-methylbenzaldehyde | ||||||||||
Article Data: | 3 | ||||||||||
Molecular Structure: | |||||||||||
Formula: | C8H6ClFO | ||||||||||
Molecular Weight: | 172.586 | ||||||||||
Synonyms: | 6-Chloro-2-fluoro-3-methylbenzaldehyde; | ||||||||||
EINECS: | -0 | ||||||||||
Density: | 1.30 | ||||||||||
Boiling Point: | 249 ºC | ||||||||||
Flash Point: | 110 ºC | ||||||||||
Hazard Symbols: | |||||||||||
Risk Codes: | R36/37/38 | ||||||||||
Safety: |
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PSA: | 17.07000 | ||||||||||
LogP: | 2.60000 |
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The 6-Chloro-2-fluoro-3-methylbenzaldehyde with cas registry number of 286474-59-7, belongs to the following product categorie: Benzaldehyde. Its systematic name and IUPAC name are the same, which is 6-chloro-2-fluoro-3-methylbenzaldehyde. Its refractive index is 1.548.
Physical properties about this chemical are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.41; (6)ACD/BCF (pH 7.4): 46.41; (7)ACD/KOC (pH 5.5): 542.75; (8)ACD/KOC (pH 7.4): 542.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 42.71 cm3; (15)Molar Volume: 133.5 cm3; (16)Polarizability: 16.93×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Enthalpy of Vaporization: 46.32 kJ/mol; (19)Vapour Pressure: 0.0811 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 6-Chloro-2-fluoro-3-methylbenzaldehyde irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=Cc1c(F)c(ccc1Cl)C;
(2)InChI: InChI=1/C8H6ClFO/c1-5-2-3-7(9)6(4-11)8(5)10/h2-4H,1H3;
(3)InChIKey: GGZOMBUJFMOEEZ-UHFFFAOYAS;
(4)Std. InChI: InChI=1S/C8H6ClFO/c1-5-2-3-7(9)6(4-11)8(5)10/h2-4H,1H3;
(5)Std. InChIKey: GGZOMBUJFMOEEZ-UHFFFAOYSA-N