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| CAS No.: | 1711-10-0 |
|---|---|
| Name: | 3-Iodobenzoyl chloride |
| Article Data: | 83 |
| Molecular Structure: | |
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| Formula: | C7H4ClIO |
| Molecular Weight: | 266.466 |
| Synonyms: | Benzoylchloride, m-iodo- (6CI,7CI);3-Iodobenzoyl chloride;NSC 93251;m-Iodobenzoylchloride; |
| EINECS: | 216-979-4 |
| Density: | 1.932 g/cm3 |
| Melting Point: | 23-25°C |
| Boiling Point: | 280.7 °C at 760 mmHg |
| Flash Point: | 123.6 °C |
| Solubility: | Reacts with water. |
| Hazard Symbols: | R34:Causes burns.; |
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 17.07000 |
| LogP: | 2.67020 |
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Specification
The 3-Iodobenzoyl chloride, with CAS registry number 1711-10-0, has the systematic name of 3-iodobenzoyl chloride. Besides this, it is also called 3-Iodobenzoic acid chloride. Its molecular weight is 266.4635. And the chemical formula of this chemical is C7H4ClIO. What's more, its EINECS is 216-979-4.
Physical properties of 3-Iodobenzoyl chloride: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 243.26; (6)ACD/BCF (pH 7.4): 243.26; (7)ACD/KOC (pH 5.5): 1776.45; (8)ACD/KOC (pH 7.4): 1776.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 49.4 cm3; (15)Molar Volume: 137.9 cm3; (16)Polarizability: 19.58×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.932 g/cm3; (19)Flash Point: 123.6 °C; (20)Enthalpy of Vaporization: 51.95 kJ/mol; (21)Boiling Point: 280.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00371 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-iodo-benzoic acid. This reaction will need reagent SOCl2.
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When you are using this chemical, please be cautious about it as the following:
The 3-Iodobenzoyl chloride may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1cc(I)ccc1
(2)InChI: InChI=1/C7H4ClIO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H
(3)InChIKey: DTELTOREECFDBC-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H4ClIO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H
(5)Std. InChIKey: DTELTOREECFDBC-UHFFFAOYSA-N