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| CAS No.: | 123278-03-5 |
|---|---|
| Name: | BUTTPARK 100\07-45 |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C7H4ClIO2 |
| Molecular Weight: | 282.465 |
| Synonyms: | 3-Chloro-2-iodobenzoicacid; |
| Density: | 2.077 g/cm3 |
| Boiling Point: | 360.5 °C at 760 mmHg |
| Flash Point: | 171.8 °C |
| PSA: | 37.30000 |
| LogP: | 2.64280 |
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- Total:24 Page 1 of 1 1
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Specification
The Benzoicacid, 3-chloro-2-iodo- is an organic compound with the formula C7H4ClIO2. The systematic name of this chemical is 3-chloro-5-iodo-benzoic acid. With the CAS registry number 123278-03-5, it is also named as 5-chloro-3-iodobenzoic acid.
Physical properties about Benzoicacid, 3-chloro-2-iodo- are: (1)ACD/LogP: 3.66; (2)ACD/LogD (pH 5.5): 1.67; (3)ACD/LogD (pH 7.4): 0.58; (4)#H bond acceptors: 2; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 37.3 Å2; (8)Index of Refraction: 1.673; (9)Molar Refractivity: 50.98 cm3; (10)Molar Volume: 135.9 cm3; (11)Polarizability: 20.21×10-24cm3; (12)Surface Tension: 61.5 dyne/cm; (13)Density: 2.077 g/cm3; (14)Flash Point: 171.8 °C; (15)Enthalpy of Vaporization: 63.97 kJ/mol; (16)Boiling Point: 360.5 °C at 760 mmHg; (17)Vapour Pressure: 7.94E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(cc(Cl)c1)C(O)=O
(2)InChI: InChI=1/C7H4ClIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
(3)InChIKey: LFLGQMGSWYRAMO-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H4ClIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
(5)Std. InChIKey: LFLGQMGSWYRAMO-UHFFFAOYSA-N