4-Chloro-3-(trifluoromethyl)benzaldehyde
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4-Chloro-3-(trifluoromethyl)benzaldehyde
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CAS No:
34328-46-6
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Formula:
C8H4ClF3O
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Chemical Name:
4-Chloro-3-(trifluoromethyl)benzaldehyde
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Synonyms:
Benzaldehyde,4-chloro-3-(trifluoromethyl)-;m-Tolualdehyde,4-chloro-α,α,α-trifluoro-;4-Chloro-3-(trifluoromethyl)benzaldehyde;3-Trifluoromethyl-4-chlorobenzaldehyde
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CAS No:
4-Chloro-3-(trifluoromethyl)benzaldehyde Basic Attributes
208.56
208.57
2101897
251-940-5
DTXSID50187895
2913000090
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36
Xi
Irritant
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 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Chloro-3-(trifluoromethyl)benzaldehyde Use and Manufacturing
A process according to claim 8, wherein said trifluoromethylbenzaldehyde is selected from the group consisting of ... 3-fluoro-4-trifluoromethylbenzaldehyde, 2-fluoro-5-trifluoromethylbenzaldehyde, 2-chloro-3-trifluoromethylbenzaldehyde, 2-chloro-5-trifluoromethylbenzaldehyde, General procedure: First, 0.5 g of 2-hydrazinoadenosine (11) and different aralkyl or alkylaldehyde compounds (1.1 equivalent) were combined in methanol(30 ml) and heated by microwave at 80 C for 30 min. The crudeproducts (12-13, 17, 19, 21-32, and 35-39) were precipitated frommethanol, and the other products (14-16, 18, 20, 33-34, and 40-43) were purified from the reaction mixture using silica gel column chromatography. All the crude products were further purified by MPLC on reverse phase C18 material to yield the products(12-43).General procedure: Method B: The aldehyde (1.1M equivalent) and triethylamine (10M equivalent) were added to a suspension of 2, in ethanol, under efficient magnetic stirring, at room temperature. A yellow solution resulted and the reaction was mantained at 40C until TLC showed the absence of starting material. The solution was concentrated to dryness in the rotary evaporator. The solid residue was dissolved in DCM and filtered through a column of silica gel (1cm height). The solution was concentrated, diethyl ether was added and an off white solid precipitated. The solid was filtered and washed with diethyl ether and identified as 3.
Computed Properties
Molecular Weight:208.56
XLogP3:3.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:207.9902769
Monoisotopic Mass:207.9902769
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Chloro-3-(trifluoromethyl)benzaldehyde
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