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CAS No.: | 118-69-4 |
---|---|
Name: | 2,6-Dichlorotoluene |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C7H6Cl2 |
Molecular Weight: | 161.031 |
Synonyms: | Toluene,2,6-dichloro- (8CI);1,3-Dichloro-2-methylbenzene;2,6-Dichloro-1-methylbenzene;NSC 60722;2,6-Dichlorotoluene; |
EINECS: | 204-269-7 |
Density: | 1.254 g/cm3 |
Melting Point: | 2 °C |
Boiling Point: | 196.4 °C at 760 mmHg |
Flash Point: | 82.8 °C |
Solubility: | 24 mg/L (20 °C ) in water |
Appearance: | White crystalline power |
Hazard Symbols: | T,Xn,Xi |
Risk Codes: | 22-23-40-41-36/37/38 |
Safety: | 26-36/37/39-45-24/25 |
Transport Information: | UN 2810 |
PSA: | 0.00000 |
LogP: | 3.30180 |
Conditions | Yield |
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With copper(I) oxide; sulfuric acid In quinoline at 220℃; for 3h; Activation energy; Temperature; | 93% |
Conditions | Yield |
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Stage #1: 3-chloro-2-methylbenzenamine With potassium nitrite; potassium chloride In water at 8 - 90℃; for 0.666667h; Stage #2: With nickel nitrate; potassium chloride In water at 60℃; for 2.83333h; Concentration; Temperature; Reagent/catalyst; | 89% |
1-methyl-pyrrolidin-2-one
potassium methanolate
metsulfovax
2,6-dichlorotoluene
Conditions | Yield |
---|---|
With dimethyl sulfate | 82% |
With dimethyl sulfate | 82% |
2-methylchlorobenzene
A
2,5-dichlorotoluene
B
2,6-dichlorotoluene
C
2,4-dichlorotoluene
D
2,3-dichlorotoluene
Conditions | Yield |
---|---|
bei der Chlorierung; | |
With sulfuric acid; 1-butyl-3-methylimidazolium chloroaluminate; chlorine at 30℃; for 12h; Reagent/catalyst; Temperature; | |
With sulfuric acid; chlorine at 35℃; for 12h; Temperature; Molecular sieve; |
Conditions | Yield |
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With iron durch Chlorierung; |
2,6-dichlorobenzaldehyde hydrazone
2,6-dichlorotoluene
Conditions | Yield |
---|---|
With potassium hydroxide at 150℃; |
Conditions | Yield |
---|---|
Austausch der Aminogruppe gegen Chlor, Reduktion und Ersatz der neuentstandenen Aminogruppe durch Chlor; | |
Austausch der Aminogruppe gegen Chlor, Reduktion und Ersatz der neuentstandenen Aminogruppe durch Chlor; |
p-toluenesulfonyl chloride
A
2,6-dichlorotoluene
B
1,2,4-trichloro-3-methylbenzene
Conditions | Yield |
---|---|
at 70 - 80℃; durch Chlorierung; in Gegenwart von Chloruebertraegern; Verseifung des entstandenen Gemisches von Sulfochloriden und Abspaltung der Sulfogruppe aus den Sulfonsaeuren; | |
With chlorine at 70 - 80℃; durch Chlorieren; Verseifung des entstandenen Gemisches von Sulfochloriden und Abspaltung der Sulfogruppe aus den Sulfonsaeuren; |
Conditions | Yield |
---|---|
With molybdenum(V) chloride durch Chlorierung; |
1-(2',6'-Dichlorobenzyl)-1,4-dihydronicotinamide
A
2,6-dichlorotoluene
B
nicotinamide
C
1,4-Bis-(2,6-dichloro-benzyl)-1,4-dihydro-pyridine-3-carboxylic acid amide
trans-5-(2,6-dichlorobenzyl)-6-methoxy-1,4,5,6-tetrahydronicotinamide
Conditions | Yield |
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In methanol for 7h; Irradiation; Further byproducts given; | A 10 % Turnov. B 24 % Turnov. C 13 % Turnov. D 29 % Turnov. |
The 2,6-Dichlorotoluene, with CAS registry number 118-69-4, belongs to the following product categories: Aromatic Hydrocarbons (substituted) & Derivatives; Halogen toluene; Chlorine Compounds; Alpha Sort; Analytical Standards; AromaticsChemical Class; Chemical Class; ChloroVolatiles/ Semivolatiles; D; (10)DAlphabetic; DIA - DIC. It has the systematic name of 1,3-dichloro-2-methylbenzene. This chemical is a kind of clear colorless to slightly yellowish liquid. The main use of this chemical is for medicines intermediates and present pesticides. What's more, 2,6-Dichlorotoluene can be prepared by 3-Chloro-2-methylaniline.
Physical properties of 2,6-Dichlorotoluene: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 3.88; (5)ACD/BCF (pH 5.5): 524.18; (6)ACD/BCF (pH 7.4): 524.18; (7)ACD/KOC (pH 5.5): 3077.58; (8)ACD/KOC (pH 7.4): 3077.58; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 40.86 cm3; (15)Molar Volume: 129.6 cm3; (16)Polarizability: 16.2×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Enthalpy of Vaporization: 41.49 kJ/mol; (19)Vapour Pressure: 0.561 mmHg at 25°C.
Uses of 2,6-Dichlorotoluene : it can be used to produce 2,6-dichloro-3-nitro-toluene. This reaction will need reagents concentrated sulfuric acid, nitric acid
When you are using 2,6-Dichlorotoluene, please be cautious about it as the following:
The 2,6-Dichlorotoluene irritates to eyes, respiratory system and skin. This chemical is harmful if swallowed and toxic by inhalation. It has limited evidence of a carcinogenic effect. It also has risk of serious damage to the eyes. 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. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(Cl)c1C;
(2)InChI: InChI=1/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3;
(3)InChIKey: DMEDNTFWIHCBRK-UHFFFAOYA-N;