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Chemical Structure| 5216-25-1 Chemical Structure| 5216-25-1

Structure of 5216-25-1

Chemical Structure| 5216-25-1

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Product Details of [ 5216-25-1 ]

CAS No. :5216-25-1
Formula : C7H4Cl4
M.W : 229.92
SMILES Code : ClC(C1=CC=C(Cl)C=C1)(Cl)Cl
MDL No. :MFCD00000790
InChI Key :LVZPKYYPPLUECL-UHFFFAOYSA-N
Pubchem ID :21277

Safety of [ 5216-25-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302+H312-H315-H319-H372-H412
Precautionary Statements:P501-P273-P260-P270-P264-P280-P314-P337+P313-P305+P351+P338-P332+P313-P362-P301+P312+P330-P302+P352+P312
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 5216-25-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 5216-25-1 ]

[ 5216-25-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 117-21-5 ]
  • [ 5216-25-1 ]
  • [ 113770-84-6 ]
  • [ 122-01-0 ]
YieldReaction ConditionsOperation in experiment
61%; 95% zirconium(IV) chloride; at 160℃; for 16h; {Example 1-6} In a 2L volume 4-necked flask, 365g (2.0 mole) of <strong>[117-21-5]3-chlorophthalic anhydride</strong>, 460g (2.0 moles) of 4-chloro(trichloromethyl)benzene, and 1.83g (0.39% with respect to <strong>[117-21-5]3-chlorophthalic anhydride</strong>) of anhydrous zirconium chloride were placed, and heated at 160C. While keeping this temperature, 230g (1.0 mole) of 4-chloro(trichloromethyl)benzene was added dropwise to the reaction mixture over 3 hours, and then stirring was still continued for 13 hours. Gas chromatographic analysis of a liquid sample 6a that was already reacted confirmed that 0.65% of <strong>[117-21-5]3-chlorophthalic anhydride</strong> remains. The liquid sample 6a that was already reacted was distilled under reduced pressure, thereby obtaining 992g (yield: 94.6%) of colorless liquid 6b. A boiling point (bp) of the colorless liquid 6b was from 153C to 155C/9 torr. The colorless liquid 6b was rectified by a 23-step distillation column, thereby obtaining sample 6 containing 290g (yield of 61 % on the basis of <strong>[117-21-5]3-chlorophthalic anhydride</strong>) of 3-chlorophthaloyl dichloride. A boiling point (b p) of sample 6 was from 134-138C/4-5 torr (value in literature: b p 140C /8mbar: Patent Literature 5). As a result of gas chromatographic analysis, a purity of 3-chlorophthaloyl dichloride in the sample 6 was 99.0%. Further, 332g (yield of 95% on the basis of consumed 4-chloro(trichloromethyl)benzene) of 4-chlorobenzoyl chloride with a purity of 99.7% was obtained by distillation.
 

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