| Identification | |
| Name: | Benzoic acid,3-chloro-4-(1-methylethoxy)- |
| Synonyms: | 3-Chloro-4-[(1-methylethyl)oxy]benzoicacid;3-Chloro-4-isopropoxybenzoic acid; |
| CAS: | 213598-07-3 |
| Molecular Formula: | C10H11ClO3 |
| Molecular Weight: | 214.65 |
| InChI: | InChI=1/C10H11ClO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6H,1-2H3,(H,12,13) |
| Molecular Structure: | ![(C10H11ClO3) 3-Chloro-4-[(1-methylethyl)oxy]benzoicacid;3-Chloro-4-isopropoxybenzoic acid;](https://img1.guidechem.com/chem/e/dict/27/213598-07-3.jpg) |
| Properties | |
| Density: | 1.253 g/cm3 |
| Refractive index: | 1.543 |
| Solubility: | at 25 deg C (mg/L): 37.05 in water |
| Specification: |
The systematic name of 3-Chloro-4-isopropoxybenzoic acid is 3-chloro-4-(propan-2-yloxy)benzoic acid. With the CAS registry number 213598-07-3, it is also named as Benzoic acid,3-chloro-4-(1-methylethoxy)-. The product's solubility is 37.05 mg/L in water at 25 °C. And its molecular formula is C10H11ClO3 and its molecular weight is 214.65. The other characteristics of 3-Chloro-4-isopropoxybenzoic acid can be summarized as: (1)ACD/LogP: 3.53 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3 ; (4)ACD/LogD (pH 7.4): 1 ; (5)ACD/BCF (pH 5.5): 26 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 160 ; (8)ACD/KOC (pH 7.4): 4 ; (9)H bond acceptors: 3 ; (10)H bond donors: 1 ; (11)Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.543 ; (13)Molar Refractivity: 53.981 cm3 ; (14)Molar Volume: 171.306 cm3 ; (15)Surface Tension: 43.087 dyne/cm ; (16)Density: 1.253 g/cm3 ; (17)Flash Point: 149.073 °C ; (18)Enthalpy of Vaporization: 59.621 kJ/mol ; (19)Boiling Point: 322.881 °C at 760 mmHg ; (20)Vapour Pressure: 0 mmHg at 25 °C. People can use the following data to convert to the molecule structure. |
| Safety Data | |
 |
|
