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| CAS No.: | 620621-48-9 |
|---|---|
| Name: | 2-CHLORO-5-IODOBENZOIC ACID METHYL ESTER |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C8H6ClIO2 |
| Molecular Weight: | 296.492 |
| Synonyms: | 2-Chloro-5-iodobenzoicacid methyl ester;Methyl 2-chloro-5-iodobenzoate; |
| Density: | 1.837 g/cm3 |
| Boiling Point: | 315 °C at 760 mmHg |
| Flash Point: | 144.3 °C |
| PSA: | 26.30000 |
| LogP: | 2.73120 |
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- Total:29 Page 1 of 1 1
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Specification
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