ChemicalBook--->CAS DataBase List--->1124-05-6

1124-05-6

1124-05-6 Structure

1124-05-6 Structure
IdentificationMore
[Name]

2,5-DICHLORO-P-XYLENE
[CAS]

1124-05-6
[Synonyms]

1,4-DICHLORO-2,5-DIMETHYLBENZENE
2,5-DICHLORO-P-XYLENE
1,4-dichloro-2,5-dimethyl-benzen
2,5-Dichloro-1,4-dimethylbenzene
2,5-Dichloro-para-xylene
benzene,1,4-dichloro-2,5-dimethyl-
p-Xylene, 2,5-dichloro-
p-xylene,2,5-dichloro-
2,5-DICHLORO-P-XYLENE 98+%
[EINECS(EC#)]

214-387-0
[Molecular Formula]

C8H8Cl2
[MDL Number]

MFCD00000610
[Molecular Weight]

175.06
[MOL File]

1124-05-6.mol
Chemical PropertiesBack Directory
[Melting point ]

69-70 °C (lit.)
[Boiling point ]

222 °C (lit.)
[density ]

1.2520 (estimate)
[refractive index ]

1.5544 (estimate)
[Fp ]

221-223°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Sparingly), DMSO (Slightly, Heated), Hexanes (Slightly), Methanol
[form ]

Solid
[color ]

White to Pale Yellow
[InChI]

1S/C8H8Cl2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
[InChIKey]

UTGSRNVBAFCOEU-UHFFFAOYSA-N
[SMILES]

Cc1cc(Cl)c(C)cc1Cl
[CAS DataBase Reference]

1124-05-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1,4-dichloro-2,5-dimethyl-(1124-05-6)
[EPA Substance Registry System]

1124-05-6(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37:Wear suitable gloves .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

2903.99.8001
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dichloromethane-->Ferric chloride-->2-Chloro-1,4-dimethylbenzene-->p-Xylene
Hazard InformationBack Directory
[Uses]

2,5-Dichloro-1,4-dimethylbenzene can be used to produce phototropic photosensitive composition containing fluoran colorformer.
[Synthesis]

P-XYLENE

106-42-3

2,5-DICHLORO-P-XYLENE

1124-05-6

The general procedure for the synthesis of 2,5-dichloro-p-xylene from p-xylene is as follows: In a 500 ml round-bottomed flask, 330 grams of p-xylene (3.1 moles), 0.50 grams (0.003 moles) of ferric chloride, and 0.58 grams (0.003 moles) of dibenzyl sulphide were added and mixed with stirring. The temperature of the mixture was raised to 30°C and 521 g of chlorine gas was slowly passed through the mixture at this temperature over a period of 8 hours. The temperature was gradually raised to about 60°C depending on the cure of the reaction mixture. Upon completion of the chlorination reaction, the crude product was analyzed by gas chromatography, which showed the following composition: degree of chlorination (number of moles of chlorine substituted for 1 mole of p-xylene) 2.21, 2,5-dichloro-p-xylene (2,5-DCPX) 74.5%, 2,3-dichloro-p-xylene (2,3-DCPX) 5.1%, trichloro-p-xylene 19.9%, tetrachloro-p-xylene 0.5%. Subsequently, the crude product was purged with nitrogen and distilled according to the same method as in Example 1 to obtain 255.6 g of crude 2,5-DCPX with a purity of 93.9%. 281.8 g of isopropanol was added thereto, heated to 60° C. to dissolve the crystals, and cooled to 19° C. to crystallize, to ultimately obtain 187 g (53.4% yield) of 2,5-DCPX with a 99.9% purity .

[References]

[1] Patent: JP2017/190306, 2017, A. Location in patent: Paragraph 0024
[2] Helvetica Chimica Acta, 1944, vol. 27, p. 274,290
[3] Patent: US2412389, 1943,
[4] Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1935, vol. 200, p. 936
[5] Annales de Chimie (Cachan, France), 1936, vol. <11> 5, p. 5,57
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-DICHLORO-P-XYLENE(1124-05-6)MS
2,5-DICHLORO-P-XYLENE(1124-05-6)1HNMR
2,5-DICHLORO-P-XYLENE(1124-05-6)13CNMR
2,5-DICHLORO-P-XYLENE(1124-05-6)IR1
2,5-DICHLORO-P-XYLENE(1124-05-6)IR2
2,5-DICHLORO-P-XYLENE(1124-05-6)IR3
2,5-DICHLORO-P-XYLENE(1124-05-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,5-Dichloro-p-xylene, 98%(1124-05-6)
[Sigma Aldrich]

1124-05-6(sigmaaldrich)
[TCI AMERICA]

2,5-Dichloro-p-xylene,>95.0%(GC)(1124-05-6)
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