4-Amino-2-chlorobenzonitrile
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4-Amino-2-chlorobenzonitrile
structure -
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CAS No:
20925-27-3
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Formula:
C7H5ClN2
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Chemical Name:
4-Amino-2-chlorobenzonitrile
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Synonyms:
Benzonitrile,4-amino-2-chloro-;4-Amino-2-chlorobenzonitrile;3-Chloro-4-cyanoaniline;2-Chloro-4-aminobenzonitrile;(3-Chloro-4-cyanophenyl)amine
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CAS No:
4-Amino-2-chlorobenzonitrile Basic Attributes
152.58
152.58
2936425
244-114-0
DTXSID20175082
2926909090
Characteristics
49.8
1.8
white to light yellow crystal powder
1.3±0.1 g/cm3
118 °C
339.5°C at 760 mmHg
159.1±23.7 °C
1.610
9.18E-05mmHg at 25°C
Safety Information
III
6.1
3439
3
22-43
22-24/25-36/37
Xn,Xi,N
Harmful/Irritant
P280
H317
|Danger|H301 (11.36%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Amino-2-chlorobenzonitrile Use and Manufacturing
Step 4 General procedure: A mixture of compound 3a or 3b (19 mmol) and CuCN (29 mmol, 1.5 eq) in DMF (20 ml) was heated at 145 °C under nitrogen overnight. The reaction mixture was cooled to room temperature and then poured into ice water (50 ml). Ethyl acetate (100 ml) was added and the insoluble solid was filtered off (washed with ethyl acetate [2 x 30 ml]). The organic layer was separated, and the aqueous layer was extracted with ethyl acetate (2 x 50 ml). The combined extracts were washed with saturated aqueous NaHCO3 solution (1 x 150 ml), brine (3 x 100 ml) and dried over Na2SO4. The resulting material was concentrated and the residue was purified by silica gel chromatography (petroleum ether:ethyl acetate, 10:1) to afford the title compound (4a or 4b) as a gray solid (60–65 percent yield).3-chloro-4-cyanoaniline. Example 44N2-((6-Chloro- 1 H-indol-5-yl)methyl)-N4 (5-cyclopropyl- 1 H-pyrazol-3-yl)pyrimidine-2, 4-diamine (1-93) step 1 : A mixture of 3.91. Intermediate 19: 4-amino-2-chloro-5-ethyl-benzonitrile 3.91.1. Step i): 4-amino-2-chloro-5-iodo-benzonitrtte Iodine (1 eq, 1.7 g) is dissolved in EtOH (75 mL) at room temperature in a 250 mL round bottom flask and
Used as pharmaceutical intermediate
Computed Properties
Molecular Weight:152.58
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:152.0141259
Monoisotopic Mass:152.0141259
Topological Polar Surface Area:49.8
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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