1-Chloro-4-iodo-2-methylbenzene
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1-Chloro-4-iodo-2-methylbenzene
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CAS No:
116632-41-8
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Formula:
C7H6ClI
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Chemical Name:
1-Chloro-4-iodo-2-methylbenzene
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Synonyms:
Benzene,1-chloro-4-iodo-2-methyl-;1-Chloro-4-iodo-2-methylbenzene;2-Chloro-5-iodotoluene
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CAS No:
Characteristics
0
3.6
Colorless to yellow Liquid
1.81 g/mL at 25 °C(lit.)
239 °C(lit.)
230 °F
n 20/D 1.624(lit.)
0.053mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Chloro-4-iodo-2-methylbenzene Use and Manufacturing
Step A: NaOH (4M, 443.13uL, 4.00eq) was added to a solution of compound 51 (200.00mg, 443.13umol, 1.00eq), 4-chloro-1-iodo-2-toluene (156.63mg, 620.38umol, 1.40eq), Pd(dppf)Cl2 (16.21mg, 22.16umol, 0.05eq) in 12mL2-methyltetrahydrofuran, the reaction solution was purged with nitrogen for three times, then stirred at 65C for 12 hours, gradually turned from yellow to black. 20mL water was added to the above solution, and the mixture was extracted threetimes with ethyl acetate (20mL*3). The organic phase was combined, washed with 20mL saturated brine, dried overanhydrous sodium sulfate and filtered. The filtrate was concentrated under reduced pressure to give a crude product, which was purified by silica gel column chromatography (400 mesh, PE:EA=1:0 to 20:1) to give the compound 73(170.00mg, 325.53umol, yield 73.46%, purity 90%).Step 1 (0497) To a mixture of 3-(R)-1-aminoethyl)benzonitrile (750 mg),
Computed Properties
Molecular Weight:252.48
XLogP3:3.6
Exact Mass:251.92028
Monoisotopic Mass:251.92028
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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