1,2-Dichloro-3-(trifluoromethyl)benzene
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1,2-Dichloro-3-(trifluoromethyl)benzene
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CAS No:
54773-19-2
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Formula:
C7H3Cl2F3
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Chemical Name:
1,2-Dichloro-3-(trifluoromethyl)benzene
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Synonyms:
Benzene,1,2-dichloro-3-(trifluoromethyl)-;1,2-Dichloro-3-(trifluoromethyl)benzene;2,3-Dichlorobenzotrifluoride;2,3-Dichloro-α,α,α-trifluorotoluene
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CAS No:
1,2-Dichloro-3-(trifluoromethyl)benzene Basic Attributes
215
215.00
259-336-3
17977SU48T
DTXSID3073551
2903999090
Safety Information
IRRITANT
20/21/22-36/37/38
24/25-36-26
Xi
Irritant
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
1,2-Dichloro-3-(trifluoromethyl)benzene Use and Manufacturing
49.3 g of water, 15.8 g of 50percent hypophosphorous acid (0.120 mol) and 0.13 g of copper sulfate pentahydrate (0.52*1049.3 g of water, 15.8 g of 50percent hypophosphorous acid (0.120 mol) and 0.13 g of copper sulfate pentahydrate (0.52*10It is noted that when the reaction temperature is 35 C. instead of 25 C., a mixture of 65.2% aniline and 29.6% dichlorotrifluoromethylbenzene is obtained (true yield=28.9%; degree of conversion=40.5%).500.0 g (2.28 mol, 1.0 eq) of 215 g (1.00 mol) of the compound of the formula (II), anhydrous potassium fluoride 140 g (2.41 mol), sulfolane 2000 mL, 10 g of tetraphenylphosphonium bromide was introduced into the autoclave in batches, and the temperature was raised to 250-300 C for 20 hours under stirring. After cooling, the formed potassium chloride and excess potassium fluoride were removed by filtration.The filtrate is rectified, and a fraction of 112 C to 119 C is collected to obtain a compound of formula (III) 2, 3-difluorobenzotrifluoride; The residue is further subjected to rectification to collect a fraction of 145 C - 151 C to obtain a by-product 2-fluoro-3-chlorobenzotrifluoride; the by-product can be recycled.The average yield of 2, 3-difluorobenzotrifluoride, which is a continuous preparation of the compound of formula (III) after application, is 87.6%.
Computed Properties
Molecular Weight:215.00
XLogP3:4.1
Hydrogen Bond Acceptor Count:3
Exact Mass:213.9563900
Monoisotopic Mass:213.9563900
Heavy Atom Count:12
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,2-Dichloro-3-(trifluoromethyl)benzene
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