CAS No.42016-93-3,2-Chloro-4-iodoaniline Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	42016-93-3
Name:	2-Chloro-4-iodoaniline
Article Data:	3

Formula:	C₆H₅ClIN
Molecular Weight:	253.47
Synonyms:	2-Chloro-4-iodoaniline;NSC 137040;
EINECS:	628-520-9
Density:	2.015 g/cm³
Melting Point:	70-73 °C(lit.)
Boiling Point:	281.7 °C at 760 mmHg
Flash Point:	124.2 °C
Appearance:	grey to light orange crystalline powder
Hazard Symbols:	Xn; T; Xi; N
Risk Codes:	25-41-51/53-36/37/38-20/21/22
Safety:	26-45-60-61-36/37/39
Transport Information:	UN 2811
PSA:	26.02000
LogP:	3.10800

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Specification

The Benzenamine,2-chloro-4-iodo-, with CAS registry number 42016-93-3, belongs to the following product categories: (1)Aromatic Halides (substituted); (2)Anilines, Amides & Amines; (3)Chlorine Compounds; (4)Iodine Compounds; (5)Amines; (6)C2 to C6; (7)Nitrogen Compounds. It has the systematic name of 2-chloro-4-iodoaniline. This chemical is a kind of grey to light orange crystalline powder. The main use of this chemical is for medicines intermediates.

Physical properties of Benzenamine,2-chloro-4-iodo-: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å²; (7)Index of Refraction: 1.694; (8)Molar Refractivity: 48.29 cm³; (9)Molar Volume: 125.7 cm³; (10)Polarizability: 19.14×10^-24cm³; (11)Surface Tension: 56.4 dyne/cm; (12)Enthalpy of Vaporization: 52.05 kJ/mol; (13)Vapour Pressure: 0.0035 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-chloro-aniline. This reaction will need reagents I₂, AcOH, 2Na₂CO₃^.3H₂O₂and solvent ethyl acηte. The reaction time is 4 hour(s) with reaction temperature of 45 - 50 ℃. The yield is about 73%.

Uses of p-Chloropropiophenone: it can be used to produce 2-(2-chloro-4-iodo-phenylamino)-3,4-difluoro-benzoic acid. This reaction will need reagent lithium diisopropyl amide and solvents tetrahydrofuran, heptane, ethylbenzene, tetrahydrofuran, heptane, ethylbenzene. The reaction time is 15 min with reaction temperature of 20 ℃. The yield is about 43%.

When you are using this chemical, please be cautious about it as the following:
Firstly, the Benzenamine,2-chloro-4-iodo- irritates to eyes, respiratory system and skin. This chemical is harmful by inhalation, in contact with skin and if swallowed. And this chemical is toxic if swallowed and has risk of serious damage to the eyes.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.
Secondly, this chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(Cl)c(N)cc1
(2)InChI: InChI=1/C6H5ClIN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
(3)InChIKey: MYDAOWXYGPEPJT-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H5ClIN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
(5)Std. InChIKey: MYDAOWXYGPEPJT-UHFFFAOYSA-N