Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoic acid, 2-chloro-5-iodo-, methyl ester |
EINECS | N/A |
CAS No. | 620621-48-9 | Density | 1.837 g/cm3 |
PSA | 26.30000 | LogP | 2.73120 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6ClIO2 | Boiling Point | 315 °C at 760 mmHg |
Molecular Weight | 296.492 | Flash Point | 144.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Chloro-5-iodobenzoicacid methyl ester;Methyl 2-chloro-5-iodobenzoate; |
Article Data | 7 |
This chemical is called Benzoic acid, 2-chloro-5-iodo-, methyl ester, and its systematic name is methyl 2-chloro-5-iodo-benzoate. With the molecular formula of C8H6ClIO2, its CAS registry number is 620621-48-9. Additionally, its product categories are Acids & Esters; Chlorine Compounds; Iodine Compounds.
Other characteristics of the Benzoic acid, 2-chloro-5-iodo-, methyl ester can be summarised as followings: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 3.52; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.608; (10)Molar Refractivity: 55.82 cm3; (11)Molar Volume: 161.3 cm3; (12)Polarizability: 22.13×10-24cm3; (13)Surface Tension: 47.5 dyne/cm; (14)Density: 1.837 g/cm3; (15)Flash Point: 144.3 °C; (16)Enthalpy of Vaporization: 55.62 kJ/mol; (17)Boiling Point: 315 °C at 760 mmHg; (18)Vapour Pressure: 0.00045 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1cc(I)ccc1Cl
2.InChI: InChI=1/C8H6ClIO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3
3.InChIKey: DLSYOOCTSGXXCP-UHFFFAOYAN