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Name |
2-Chloro-6-methylbenzaldehyde |
EINECS | N/A |
CAS No. | 1194-64-5 | Density | 1.195 g/cm3 |
PSA | 17.07000 | LogP | 2.46090 |
Solubility | N/A | Melting Point |
31 °C |
Formula | C8H7ClO | Boiling Point | 233.101 °C at 760 mmHg |
Molecular Weight | 154.596 | Flash Point | 105.191 °C |
Transport Information | N/A | Appearance | white crystalline powder |
Safety | 26-36/37 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
o-Tolualdehyde,6-chloro- (7CI,8CI);2-Chloro-6-methylbenzaldehyde;6-Chloro-2-methylbenzaldehyde; |
Article Data | 9 |
The IUPAC name of 2-Chloro-6-methylbenzaldehyde is 2-chloro-6-methylbenzaldehyde. With the CAS registry number 1194-64-5, it is also named as Benzaldehyde, 2-chloro-6-methyl-. The product's categories are Aldehydes; C7; Carbonyl Compounds. Besides, it is white crystalline powder, which should be stored in tightly sealed containers in a cool, dry place. And you should ensure that the workplaces have good ventilation or exhaust devices. In addition, its molecular formula is C8H7ClO and molecular weight is 154.59.
The other characteristics of 2-Chloro-6-methylbenzaldehyde can be summarized as: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.987; (4)ACD/LogD (pH 7.4): 2.987; (5)ACD/BCF (pH 5.5): 109.74; (6)ACD/BCF (pH 7.4): 109.74; (7)ACD/KOC (pH 5.5): 1004.858; (8)ACD/KOC (pH 7.4): 1004.858; (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: 1.575; (14)Molar Refractivity: 42.726 cm3; (15)Molar Volume: 129.325 cm3; (16)Polarizability: 16.938×10-24cm3; (17)Surface Tension: 40.301 dyne/cm; (18)Density: 1.195 g/cm3; (19)Flash Point: 105.191 °C; (20)Melting Point: 31 °C; (21)Enthalpy of Vaporization: 46.981 kJ/mol; (22)Boiling Point: 233.101 °C at 760 mmHg; (23)Vapour Pressure: 0.057 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, gloves.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1cccc(c1C=O)Cl
(2)InChI: InChI=1/C8H7ClO/c1-6-3-2-4-8(9)7(6)5-10/h2-5H,1H3
(3)InChIKey: CCYFXIJPJFSTSU-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H7ClO/c1-6-3-2-4-8(9)7(6)5-10/h2-5H,1H3
(5)Std. InChIKey: CCYFXIJPJFSTSU-UHFFFAOYSA-N