The Benzene,1,4-dichloro-2,5-dimethyl-, with CAS registry number 1124-05-6, belongs to the following product categories: (1)Halides; (2)Phenyls & Phenyl-Het; (3)Aryl; (4)C8; (5)Halogenated Hydrocarbons. It has the systematic name of 1,4-dichloro-2,5-dimethylbenzene. This chemical is a kind of white crystal.
Physical properties of Benzene,1,4-dichloro-2,5-dimethyl-: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.26; (4)ACD/LogD (pH 7.4): 4.26; (5)ACD/BCF (pH 5.5): 1010.7; (6)ACD/BCF (pH 7.4): 1010.7; (7)ACD/KOC (pH 5.5): 4923.89; (8)ACD/KOC (pH 7.4): 4923.89; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 45.69 cm3; (15)Molar Volume: 145.8 cm3; (16)Polarizability: 18.11×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Enthalpy of Vaporization: 43.99 kJ/mol; (19)Vapour Pressure: 0.153 mmHg at 25°C.
Uses of Benzene,1,4-dichloro-2,5-dimethyl-: it can be used to produce 2,5-dichloro-terephthalic acid. This reaction will need reagent KMnO4 and solvent H2O. The yield is about 45%.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1,4-dichloro-2,5-dimethyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C)c(Cl)cc1C
(2)InChI: InChI=1/C8H8Cl2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
(3)InChIKey: UTGSRNVBAFCOEU-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H8Cl2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
(5)Std. InChIKey: UTGSRNVBAFCOEU-UHFFFAOYSA-N
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