4-CHLORO-2-FLUORO-6-IODOANILINE
-
4-CHLORO-2-FLUORO-6-IODOANILINE
structure -
-
CAS No:
216393-67-8
-
Formula:
C6H4ClFIN
-
Chemical Name:
4-CHLORO-2-FLUORO-6-IODOANILINE
-
Synonyms:
4-Chloro-2-fluoro-6-iodoaniline 96%;4-Chloro-2-fluoro-6-iodoaniline96%;4- chloro- 2- fluoro- 6- iodo-Benzenamine;Benzenamine,4-chloro-2-fluoro-6-iodo-;4-CHLORO-2-FLUORO-6-IODOANILINE
-
CAS No:
Safety Information
III
6.1
2811
20/21/22-36/38-25
26-36/37/39-45
Xi,T
Harmful/Irritant
P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301+H311+H331
|Danger|H301+H311+H331 (20%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-CHLORO-2-FLUORO-6-IODOANILINE Use and Manufacturing
Step 1: synthesis of 4-chloro-2-fluoro-6-iodoaniline To a solution of 4-chloro-2-fluoroaniline (1.15 g, 7.9 mmol) in 125 mL of ethanol added silversulphate (1.7 g, 8.3 mmol), then followed by addition of ‘2 (2.1 g, 8.3 mmol) in portions. Afterthe addition was completed, the mixture was stirred at RT for 2 hours. The mixture was filtered through celite and the filtration was evaporated to give dark oil which was dissolved in 125 mL of DCM. The solution was washed with 2M sodium hydroxide (40 mL x 2), saturated Na25203 (40 mL x 2) and water (40 mL x 2). The resulting solution was dried over Mg504 and thenevaporated to give the crude 4-chloro-2-fluoro-6-iodoaniline as dark oil (2.1 g, yield: 98percent).4-Chloro-2-fluoroaniline (2.9 g, 20 mmol) was dissolved in ethanol (200 mL). Silver sulphate (6.22 g, 20 mmol) was added and then iodine (5.08 g, 20 mmol) was added in small portions. After the addition was complete the reaction mixture was stirred at ambient temperature for 90min. The reaction mixture was filtered through Celite and evaporated to leave a dark oil which was taken up in DCM (200 mL). and washed with 2M sodium hydroxide (2 x 50 mL), saturated sodium thiosulphate (2x50 mL) and water (2x50 mL). The solution was dried (MgSO
Computed Properties
Molecular Weight:271.46
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:270.90610
Monoisotopic Mass:270.90610
Topological Polar Surface Area:26
Heavy Atom Count:10
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes