CAS No.13421-13-1,4-Chloro-2-iodobenzoic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13421-13-1
Name:	4-Chloro-2-iodobenzoic acid
Article Data:	9

Formula:	C₇H₄ClIO₂
Molecular Weight:	282.465
Synonyms:	2-Iodo-4-chlorobenzoicacid;4-Chloro-2-iodobenzoic acid;
Density:	2.077 g/cm³
Melting Point:	163-167 °C(lit.)
Boiling Point:	343.8 °C at 760 mmHg
Flash Point:	161.7 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	37.30000
LogP:	2.64280

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Specification

The Benzoic acid,4-chloro-2-iodo- is an organic compound with the formula C₇H₄ClIO₂. With the CAS registry number 13421-13-1, the IUPAC name of this chemical is 4-chloro-2-iodobenzoic acid. The product's categories are Benzoic acid; Acids & Esters; Chlorine Compounds; Iodine Compounds; C7Spectroscopy; Carbonyl Compounds; Carboxylic Acids; Fluorescence/Luminescence; Scintillation Reagents.

Physical properties about Benzoic acid,4-chloro-2-iodo- are: (1)ACD/LogP: 2.46; (2)ACD/LogD (pH 5.5): -0.22; (3)ACD/LogD (pH 7.4): -0.68; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.07; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 50.98 cm³; (14)Molar Volume: 135.9 cm³; (15)Polarizability: 20.21×10^-24cm³; (16)Surface Tension: 61.5 dyne/cm; (17)Density: 2.077 g/cm³; (18)Flash Point: 161.7 °C; (19)Enthalpy of Vaporization: 62.03 kJ/mol; (20)Boiling Point: 343.8 °C at 760 mmHg; (21)Vapour Pressure: 2.62E-05 mmHg at 25°C.

Uses of Benzoic acid,4-chloro-2-iodo-: it can be used to produce C₁₆H₁₃ClO₅ at temperature of 140 - 150 °C. It will need reagent K₂CO₃, Cu and solvent nitrobenzene with reaction time of 30 min. The yield is about 45%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(C(=O)O)ccc(Cl)c1
(2)InChI: InChI=1/C7H4ClIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
(3)InChIKey: LRRDANNSUCQNDU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H4ClIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
(5)Std. InChIKey: LRRDANNSUCQNDU-UHFFFAOYSA-N