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23138-56-9

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Basic Information
CAS No.: 23138-56-9
Name: 3-IODOPHENYL ISOCYANATE
Article Data: 2
Molecular Structure:
Molecular Structure of 23138-56-9 (3-IODOPHENYL ISOCYANATE)
Formula: C7H4INO
Molecular Weight: 245.019
Synonyms: Isocyanicacid, m-iodophenyl ester (8CI);1-Iodo-3-isocyanatobenzene;3-Iodophenylisocyanate;m-Iodophenyl isocyanate;
Density: 1.79 g/cm3
Boiling Point: 263.9 °C at 760 mmHg
Flash Point: 113.4 °C
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 23-26-36
Transport Information: UN 2206
PSA: 29.43000
LogP: 2.25850
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Specification

The Benzene,1-iodo-3-isocyanato-, with the CAS registry number 23138-56-9, is also known as 3-Iodophenyl isocyanate. It belongs to the product categories of Isocyanates; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C7H4INO and molecular weight is 245.02. Its systematic name is called 1-iodo-3-isocyanatobenzene.

Physical properties of Benzene,1-iodo-3-isocyanato-: (1)ACD/LogP: 3.73; (2)ACD/LogD (pH 5.5): 3.73; (3)ACD/LogD (pH 7.4): 3.73; (4)ACD/BCF (pH 5.5): 405.27; (5)ACD/BCF (pH 7.4): 405.27; (6)ACD/KOC (pH 5.5): 2559.95; (7)ACD/KOC (pH 7.4): 2559.95; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.636; (11)Molar Refractivity: 48.81 cm3; (12)Molar Volume: 136.1 cm3; (13)Surface Tension: 47.8 dyne/cm; (14)Density: 1.79 g/cm3; (15)Flash Point: 113.4 °C; (16)Enthalpy of Vaporization: 50.17 kJ/mol; (17)Boiling Point: 263.9 °C at 760 mmHg; (18)Vapour Pressure: 0.01 mmHg at 25°C.

Uses of Benzene,1-iodo-3-isocyanato-: it can be used to produce 4-chloro-2-[3-(3-iodo-phenyl)-ureido]-benzoic acid with 2-amino-4-chloro-benzoic acid at temperature of 20 °C. This reaction will need solvent tetrahydrofuran. The yield is about 37%.

Benzene,1-iodo-3-isocyanato- can be used to produce 4-chloro-2-[3-(3-iodo-phenyl)-ureido]-benzoic acid with 2-amino-4-chloro-benzoic acid

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, 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.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(/N=C=O)ccc1
(2)InChI: InChI=1/C7H4INO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
(3)InChIKey: LZSQANBVKPXBLO-UHFFFAOYAG