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| CAS No.: | 145343-76-6 |
|---|---|
| Name: | 2-CHLORO-4-IODOBENZOIC ACID |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H4ClIO2 |
| Molecular Weight: | 282.465 |
| Synonyms: | 2-Chloro-4-iodobenzoicacid; |
| Density: | 2.077 g/cm3 |
| Melting Point: | 166-170 °C |
| Boiling Point: | 337.9 °C at 760 mmHg |
| Flash Point: | 158.2 °C |
| Hazard Symbols: | R25-37/38-41-50/53:; |
| Risk Codes: | T,N:; ">  T,N:; |
| Safety: | 26-36/37-45-60-61 |
| PSA: | 37.30000 |
| LogP: | 2.64280 |
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- Total:15 Page 1 of 1 1
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Specification
The Benzoic acid,2-chloro-4-iodo-, with the CAS registry number 145343-76-6, belongs to the product categories of Acids & Esters; Chlorine Compounds; Iodine Compounds; C7; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C7H4ClIO2 and molecular weight is 282.46293. Its IUPAC name is called 2-chloro-4-iodobenzoic acid.
Physical properties of Benzoic acid,2-chloro-4-iodo-: (1)ACD/LogP: 2.71; (2)ACD/LogD (pH 5.5): 0.1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.75; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.673; (11)Molar Refractivity: 50.98 cm3; (12)Molar Volume: 135.9 cm3; (13)Surface Tension: 61.5 dyne/cm; (14)Density: 2.077 g/cm3; (15)Flash Point: 158.2 °C; (16)Enthalpy of Vaporization: 61.35 kJ/mol; (17)Boiling Point: 337.9 °C at 760 mmHg; (18)Vapour Pressure: 3.96E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It may present an immediate or delayed danger to one or more components of the environment. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1I)Cl)C(=O)O
(2)InChI: InChI=1S/C7H4ClIO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: KVFAMLOGLYILKM-UHFFFAOYSA-N