Name: 2-CHLORO-6-FLUORO-3-METHYLBENZALDEHYDE
SKU: 104451-99-2

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Basic Information

Molecular Structure:
CAS No.:	104451-99-2
Name:	2-CHLORO-6-FLUORO-3-METHYLBENZALDEHYDE
Article Data:	2

Formula:	C₈H₆ClFO
Molecular Weight:	172.586
Synonyms:	2-Chloro-6-fluoro-3-methylbenzaldehyde;
EINECS:	-0
Density:	1.292 g/cm³
Melting Point:	30-33 °C(lit.)
Boiling Point:	225.1 °C at 760 mmHg
Flash Point:	89.9 °C
Solubility:	insoluble in water
Appearance:	Off-white crystalline solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	17.07000
LogP:	2.60000

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Specification

The Benzaldehyde,2-chloro-6-fluoro-3-methyl- is an organic compound with the formula C₈H₆ClFO. The IUPAC name of this chemical is 2-chloro-6-fluoro-3-methylbenzaldehyde. With the CAS registry number 104451-99-2, it is also named as 2-Chloro-6-fluoro-m-tolualdehyde. The product's category is Benzaldehyde. It is off-white crystalline solid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container which is filled with inert gas and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å²; (7)Index of Refraction: 1.552; (8)Molar Refractivity: 42.71 cm³; (9)Molar Volume: 133.5 cm³; (10)Surface Tension: 38.6 dyne/cm; (11)Enthalpy of Vaporization: 46.16 kJ/mol; (12)Vapour Pressure: 0.0882 mmHg at 25°C; (13)Rotatable Bond Count: 1; (14)Exact Mass: 172.009121; (15)MonoIsotopic Mass: 172.009121; (16)Topological Polar Surface Area: 17.1; (17)Heavy Atom Count: 11; (18)Complexity: 151.

Uses of Benzaldehyde,2-chloro-6-fluoro-3-methyl-: It can react with 4-methyl-pyrimidin-2-ylamine and mercaptoacetic acid to get 2-(2-chloro-6-fluoro-3-methyl-phenyl)-3-(4-methyl-pyrimidin-2-yl)-thiazolidin-4-one. This reaction needs solvent toluene by heating. The reaction time is 48 hours. The yield is 38%.

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, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1c(C=O)c(Cl)c(cc1)C
2. InChI:InChI=1/C8H6ClFO/c1-5-2-3-7(10)6(4-11)8(5)9/h2-4H,1H3
3. InChIKey:CSYKEPRGLYWJCW-UHFFFAOYAR