| Identification | More | [Name]
2-Chloro-1,3-dimethylbenzene | [CAS]
6781-98-2 | [Synonyms]
1-CHLORO-2,6-DIMETHYLBENZENE
2,6-DIMETHYL CHLOROBENZENE
2-CHLORO-1,3-DIMETHYLBENZENE
2-CHLORO-M-XYLENE
2,6-Dimethylphenyl chloride
m-Xylene, 2-chloro-
2-Chloro-m-xylene,98%
CHLORO-META-XYLENE (2-CHLORO-1,3-DIMETHYLBENZENE)
2-Chloro-1,3-dimethylbenzene 99%
2,6-DIMETHYLDICHLOROBENZENE
2-CHLORO-1,3-DIMETHYLBENZENE/2-CHLORO-M-XYLENE
2,6-Dimethyl-1-chlorobenzene | [EINECS(EC#)]
229-843-4 | [Molecular Formula]
C8H9Cl | [MDL Number]
MFCD00000565 | [Molecular Weight]
140.61 | [MOL File]
6781-98-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colourless to light yellow liquid | [Melting point ]
-36 °C (lit.) | [Boiling point ]
182-183 °C (lit.) | [density ]
1.061 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.527(lit.)
| [Fp ]
146 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
liquid | [Specific Gravity]
1.061 | [Water Solubility ]
Not miscible or difficult to mix with water. | [BRN ]
2040954 | [InChI]
1S/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3 | [InChIKey]
VDXLAYAQGYCQEO-UHFFFAOYSA-N | [SMILES]
Cc1cccc(C)c1Cl | [CAS DataBase Reference]
6781-98-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 2-chloro-1,3-dimethyl-(6781-98-2) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21:Harmful by inhalation and in contact with skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [RIDADR ]
1993 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2906290090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colourless to light yellow liquid | [Uses]
It is employed as intermediate for pharmaceutical. | [General Description]
Suzuki coupling reaction of 2-chloro-1,3-dimethylbenzene with arylboronic acids has been investigated. 2-Chloro-1,3-dimethylbenzene undergoes palladium-catalyzed cyanation reaction to afford 2,6-dimethyl benzonitrile. | [Synthesis]
In a 1 L four-neck flask, 110.8 g of phenyl 2,6-dimethyl chloroformate (cas:876-99-3) was slowly added dropwise to the reaction system, followed by 110.8 g of anhydrous aluminum trichloride. The reaction system was warmed up to 80 °C and then 554 g (3.0 mol) of phenyl 2,6-dimethyl chloroformate was added. During the addition, the reaction was exothermic and the temperature of the system was gradually increased to 100~110 °C. The reaction temperature was maintained at 100~110°C, and the holding time was continued for 3.0 hours after the addition was completed. Samples were taken and analyzed during the reaction, and when the remaining amount of raw material was 15~17%, the target products 2,6-dimethylchlorobenzene and 2-chlorotoluene were generated in 40% each. After the reaction was completed, the vacuum of the system was adjusted to 20~25 mbar, and the fractions with boiling points of 80~85 °C were collected. Finally, 185 g of 2,6-dimethylchlorobenzene liquid product was obtained, which was analyzed by gas chromatography (GC) with 99.0% purity and 43.8% yield. | [References]
[1] Patent: CN108530297, 2018, A. Location in patent: Paragraph 0101; 0102 |
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