CAS No.1123-63-3,4-CHLORO-2,6-DIMETHYLPHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1123-63-3
Name:	4-CHLORO-2,6-DIMETHYLPHENOL
Article Data:	18

Formula:	C₈H₉ClO
Molecular Weight:	156.612
Synonyms:	NSC 5785;2,6-Xylenol,4-chloro- (6CI,7CI,8CI);2,6-Dimethyl-4-chlorophenol;4-Chloro-2,6-dimethylphenol;4-Chloro-2,6-xylenol;
EINECS:	214-376-0
Density:	1.183 g/cm³
Melting Point:	80-85 °C
Boiling Point:	241.6 °C at 760 mmHg
Flash Point:	99.9 °C
Solubility:	516.8mg/L(25 oC)
Appearance:	white to pale pink fine crystalline needles
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	20.23000
LogP:	2.66240

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Specification

The Phenol, 4-chloro-2, 6-dimethyl-, with the CAS registry number of 1123-63-3, is also known as 2, 6-Dimethyl-4-chlorophenol. It belongs to the product categories of Anisole; Chlorine Compounds; Phenols. Its EINECS registry number is 214-376-0. This chemical's molecular formula is C₈H₉ClO and molecular weight is 156.61. What's more, its IUPAC name is 4-Chloro-2, 6-dimethylphenol. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact oxidant, alkali, anhydride, acid chloride. Besides, you should ensure the work place is well-ventilated.

Physical properties about Phenol, 4-chloro-2, 6-dimethyl- are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 205.54; (6)ACD/BCF (pH 7.4): 205.24; (7)ACD/KOC (pH 5.5): 1574.63; (8)ACD/KOC (pH 7.4): 1572.32; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 42.67 cm³; (15)Molar Volume: 132.3 cm³; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 1.183 g/cm³; (18)Flash Point: 99.9 °C; (19)Enthalpy of Vaporization: 49.79 kJ/mol; (20)Boiling Point: 241.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0229 mmHg at 25 °C.

Preparation of Phenol, 4-chloro-2, 6-dimethyl-: this chemical is prepared by reaction of 2, 6-Dibromo-4-chloro-phenol with Methyllithium. The reaction needs solvent Diethyl ether. The reaction time is 24 hours with reaction temperature of 37 °C. The yield is about 27 %.

The Phenol, 4-chloro-2, 6-dimethyl- can be obtained by 2, 6-Dibromo-4-chloro-phenol and Methyllithium.

Uses of Phenol, 4-chloro-2, 6-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 2-(2-Bromo-ethoxy)-5-chloro-1, 3-dimethyl-benzene by heating. This reaction needs reagents aq. NaOH and Benzyltriethylammonium chloride. The reaction time is 7.5 hours. The yield is about 42 %.

Phenol, 4-chloro-2, 6-dimethyl- can react with 1, 2-Dibromo-ethane to get 2-(2-Bromo-ethoxy)-5-chloro-1, 3-dimethyl-benzene.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. In case of 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(O)c(c1)C)C
(2) InChI: InChI=1/C8H9ClO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
(3) InChIKey: VWYKSJIPZHRLNO-UHFFFAOYAJ