3-Chloro-5-(trifluoromethyl)benzenamine
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3-Chloro-5-(trifluoromethyl)benzenamine
structure -
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CAS No:
69411-05-8
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Formula:
C7H5ClF3N
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Chemical Name:
3-Chloro-5-(trifluoromethyl)benzenamine
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Synonyms:
Benzenamine,3-chloro-5-(trifluoromethyl)-;3-Chloro-5-(trifluoromethyl)benzenamine;3-Chloro-5-trifluoromethylaniline;1-Amino-3-chloro-5-trifluoromethylbenzene
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CAS No:
Safety Information
6.1
2810
20/21/22-36/37/38-36-36/38
26-36/37/39-36/37
Xi
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302+H312+H332
|Warning|H302+H312+H332 (14.29%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Chloro-5-(trifluoromethyl)benzenamine Use and Manufacturing
To a stirred mixture of l-chloro-3-nitro-5-(trifluoromethyl)benzene (2.90 g, 12.9 mmoL) in 120 mL of EtOAc, was added SnClGeneral procedure: A substituted aniline (3.0 mmol) and CDI (3.0 mmol) were dissolvedin anhydrous dichloromethane (15 mL) and the reaction was stirred atroom temperature for 1 h under a nitrogen atmosphere. The solvent wasthen removed under reduced pressure, yielding the crude carbamoylimidazolesas solids. The carbamoylimidazoles were then dissolved indichloromethane (5 mL), and added to a solution of amine 13a or 13b(2.0 mmol) in dichloromethane (15 mL). The reaction was then left tostir for 1 h at room temperature. Dichloromethane (50 mL) was thenadded, and the organic layer was washed with water (3×100 mL). Theorganic layer was dried over Na2SO4 and concentrated under reducedpressure. The product was purified on silica gel by step-wise gradientelution with dichloromethane/ethyl acetate (100:0 to 90:10).A 1.0 M solution of lithium bis(trimethyldisilyl)amide in THF (i3 mL, i2 mmol, 2.0 equiv) was added through an addition funnel at 10-i5 C to a solution of
Computed Properties
Molecular Weight:195.57
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:195.0062613
Monoisotopic Mass:195.0062613
Topological Polar Surface Area:26
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Chloro-5-(trifluoromethyl)benzenamine
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