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| CAS No.: | 95-72-7 |
|---|---|
| Name: | 2-Chloro-1,4-dimethylbenzene |
| Molecular Structure: | |
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| Formula: | C8H9Cl |
| Molecular Weight: | 140.612 |
| Synonyms: | p-Xylene,2-chloro- (7CI,8CI);1,4-Dimethyl-2-chlorobenzene;1-Chloro-2,5-dimethylbenzene;2,5-Dimethylchlorobenzene;2-Chloro-1,4-dimethylbenzene;2-Chloro-p-xylene;Chloro-p-xylene;Monochloro-p-xylene;NSC 60148; |
| EINECS: | 202-444-2 |
| Density: | 1.049 g/cm3 |
| Melting Point: | 2-3 °C |
| Boiling Point: | 183.8 °C at 760 mmHg |
| Flash Point: | 57.2 °C |
| Solubility: | Slightly soluble in water |
| Appearance: | Clear colourless to light yellow liquid |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 22-36/38-36/37/38-20/21/22 |
| Safety: | 26-36 |
| Transport Information: | UN 1993 |
| PSA: | 0.00000 |
| LogP: | 2.95680 |
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Specification
The IUPAC name of 2-Chloro-1,4-dimethylbenzene is 2-Chloro-1,4-dimethylbenzene. With the CAS registry number 95-72-7, it is also named as 2-Chloro-p-xylene. The product's categories are Halogen Toluene and Chlorine Compounds, and the other registry number is 35442-53-6. Besides, it is clear colourless to light yellow liquid which is slightly soluble in water and highly flammable. In addition, its molecular formula is C8H9Cl and molecular weight is 140.61.
The other characteristics of this product can be summarized as: (1)EINECS: 202-444-2; (2)ACD/LogP: 3.73; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.73; (5)ACD/LogD (pH 7.4): 3.73; (6)ACD/BCF (pH 5.5): 405.01; (7)ACD/BCF (pH 7.4): 405.01; (8)ACD/KOC (pH 5.5): 2558.75; (9)ACD/KOC (pH 7.4): 2558.75; (10)H bond acceptors: 0; (11)H bond donors: 0; (12)Freely Rotating Bonds: 0; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 40.79 cm3; (15)Molar Volume: 133.9 cm3; (16)Polarizability: 16.17×10-24cm3; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.049 g/cm3; (19)Flash Point: 57.2 °C; (20)Melting point: 2-3 °C; (21)Enthalpy of Vaporization: 40.28 kJ/mol; (22)Boiling Point: 183.8 °C at 760 mmHg; (23)Vapour Pressure: 1.03 mmHg at 25 °C.
Preparation of 2-Chloro-1,4-dimethylbenzene: this chemical can be prepared by 1,4-Dimethyl-benzene.
This reaction needs Sodium peroxide, conc. hydrochloric acid and Acetic acid at temperature of 40-44 °C. The reaction time is 2 hours. The yield is 96 %.
Uses of 2-Chloro-1,4-dimethylbenzene: it is used as a solvent and for making other chemicals and dyes. Additionally, it can react with Chlorosulfuric acid trimethylsilanyl ester to get 4-Chlor-2,5-dimethyl-1-benzolsulfonsaeure-trimethylsilylester.
This reaction needs 1,2-Dichloro-ethane by heating. The reaction time is 10 hours. The yield is 64 %.
When you are using this chemical, please be cautious about it as the following: 2-Chloro-1,4-dimethylbenzene is harmful by inhalation, in contact with skin and if swallowed. Besidess, it is irritating to eyes, respiratory system and skin. Please wear suitable protective clothing when use it. Moreover, fire may produce irritating, corrosive and/or toxic gases. And its vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. Furthermore, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1cc(Cl)c(C)cc1
(2)InChI:InChI=1/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
(3)InChIKey:KZNRNQGTVRTDPN-UHFFFAOYAY
(4)Std. InChI:InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
(5)Std. InChIKey:KZNRNQGTVRTDPN-UHFFFAOYSA-N