alpha,alpha'-Dichloro-p-xylene

Reported in EPA TSCA Inventory.

The alpha,alpha'-Dichloro-p-xylene is an organic compound with the formula C₈H₈Cl₂. The IUPAC name of this chemical is 1,4-bis(chloromethyl)benzene. With the CAS registry number 623-25-6, it is also named as benzene, 1,4-bis(chloromethyl)-. The product's category is Pharmaceutical Intermediates. Besides, it is a white to light yellow crystal powder, which should be stored in a closed cool and dry place. It can be used for organic synthesis intermediates. It is also used in the manufacture of benzene, two methanol, p-dimethyl ether, formaldehyde, benzene, and other dyes, pharmaceutical intermediates, etc.

Physical properties about alpha,alpha'-Dichloro-p-xylene are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 2.76; (4)ACD/BCF (pH 5.5): 73.15; (5)ACD/BCF (pH 7.4): 73.15; (6)ACD/KOC (pH 5.5): 751.62; (7)ACD/KOC (pH 7.4): 751.62; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.544; (10)Molar Refractivity: 45.78 cm³; (11)Molar Volume: 144.8 cm³; (12)Polarizability: 18.15×10^-24cm³; (13)Surface Tension: 37.2 dyne/cm; (14)Density: 1.208 g/cm³; (15)Flash Point: 119.2 °C; (16)Enthalpy of Vaporization: 46.01 kJ/mol; (17)Boiling Point: 242.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0526 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-[(4-Methylphenyl)methyl]-5-oxoprolin-methylester. This reaction will need reagent Cl₂, PCl₅ and solvent CH₂Cl₂. The reaction time is 6.5 hours with reaction temperature of 45 °C. The yield is about 33%.

Uses of alpha,alpha'-Dichloro-p-xylene: it can be used to terephthalic acid. It will need reagent aqueous HNO₃.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and very toxic by inhalation. After contact with skin, take off immediately all contaminated clothing, and wash immediately with plenty of ... (to be specified by the manufacturer). It can causes burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccc(cc1)CCl
(2)InChI: InChI=1/C8H8Cl2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2
(3)InChIKey: ZZHIDJWUJRKHGX-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H8Cl2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2
(5)Std. InChIKey: ZZHIDJWUJRKHGX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LDLo	skin	501mg/kg (501mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS LIVER: OTHER CHANGES	National Technical Information Service. Vol. OTS0546123,
rat	LD50	oral	1280mg/kg (1280mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	National Technical Information Service. Vol. OTS0546123,