CAS No.609-67-6,2-IODOBENZOYL CHLORIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	609-67-6
Name:	2-IODOBENZOYL CHLORIDE
Article Data:	10

Formula:	C₇H₄ClIO
Molecular Weight:	266.466
Synonyms:	Benzoylchloride, o-iodo- (6CI,7CI,8CI);2-Iodobenzoic acid chloride;2-Iodobenzoylchloride;o-Iodobenzoyl chloride;
EINECS:	210-196-1
Density:	1.932 g/cm³
Melting Point:	27-31 °C(lit.)
Boiling Point:	289.8 °C at 760 mmHg
Flash Point:	123.3 °C
Solubility:	Reacts with water.
Appearance:	white to pinkish or pale yellow crystalline
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	UN 3261
PSA:	17.07000
LogP:	2.67020

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Specification

The 2-Iodobenzoicacid chloride, with CAS registry number 609-67-6, belongs to the following product categories: (1)Organics; (2)Acid Halides; (3)Carbonyl Compounds; (4)Organic Building Blocks. It has the systematic name of 2-iodobenzoyl chloride. This chemical is a kind of white to pinkish or pale yellow crystalline. What's more, its EINECS is 210-196-1.

Physical properties of 2-Iodobenzoicacid chloride: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.77; (6)ACD/BCF (pH 7.4): 81.77; (7)ACD/KOC (pH 5.5): 814.03; (8)ACD/KOC (pH 7.4): 814.03; (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: 123.3 °C; (20)Enthalpy of Vaporization: 52.92 kJ/mol; (21)Boiling Point: 289.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00215 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-iodo-benzoic acid. This reaction will need reagent SOCl₂.

Uses of 2-Iodobenzoicacid chloride: it can be used to produce 2-iodo-benzamide. This reaction will need reagent NH₃ and solvent benzene.

When you are using this chemical, please be cautious about it as the following:
The 2-Iodobenzoicacid 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)c1ccccc1I
(2)InChI: InChI=1/C7H4ClIO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
(3)InChIKey: MVIVDSWUOGNODP-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H4ClIO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
(5)Std. InChIKey: MVIVDSWUOGNODP-UHFFFAOYSA-N