Basic Information | Post buying leads | Suppliers |
Name |
5-Chloro-2-methylcyclohexanecarboxylic acid |
EINECS | 268-025-1 |
CAS No. | 67990-01-6 | Density | 1.17 g/cm3 |
PSA | 37.30000 | LogP | 2.11460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H13ClO2 | Boiling Point | 292.4 °C at 760 mmHg |
Molecular Weight | 176.6406 | Flash Point | 130.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Chloro-2-methylcyclohexane-1-carboxylic acid;Cyclohexanecarboxylic acid,5-chloro-2-methyl-; |
The 5-Chloro-2-methylcyclohexanecarboxylic acid with CAS registry number of 67990-01-6 is also called Cyclohexanecarboxylic acid,5-chloro-2-methyl-. The IUPAC name is 5-Chloro-2-hydroxybenzene-1,3-dicarbaldehyde. Its EINECS registry number is 268-025-1. In addition, the formula is C8H13ClO2 and the molecular weight is 176.6406.
Physical properties about this chemical are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): -0.69; (5)ACD/BCF (pH 5.5): 2.47; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 36.17; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 43.45 cm3; (15)Molar Volume: 150.4 cm3; (16)Polarizability: 17.22 ×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 130.6 °C; (20)Enthalpy of Vaporization: 58.52 kJ/mol; (21)Boiling Point: 292.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000455 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC1CC(C(=O)O)C(C)CC1
(2)InChI: InChI=1/C8H13ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)
(3)InChIKey: RSDARHRNBUATQI-UHFFFAOYAT