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Basic Information
CAS No.: 118-69-4
Name: 2,6-Dichlorotoluene
Article Data: 30
Molecular Structure:
Molecular Structure of 118-69-4 (2,6-Dichlorotoluene)
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: ToxicT,HarmfulXn,IrritantXi
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
Synthetic route
2225-18-5

3,5-dichloro-4-methylbenzenesulphonic acid

118-69-4

2,6-dichlorotoluene

Conditions
ConditionsYield
With copper(I) oxide; sulfuric acid In quinoline at 220℃; for 3h; Activation energy; Temperature;93%
87-60-5

3-chloro-2-methylbenzenamine

118-69-4

2,6-dichlorotoluene

Conditions
ConditionsYield
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%
872-50-4

1-methyl-pyrrolidin-2-one

865-33-8

potassium methanolate

21452-18-6

metsulfovax

118-69-4

2,6-dichlorotoluene

Conditions
ConditionsYield
With dimethyl sulfate82%
With dimethyl sulfate82%
95-49-8

2-methylchlorobenzene

A

19398-61-9

2,5-dichlorotoluene

B

118-69-4

2,6-dichlorotoluene

C

95-73-8

2,4-dichlorotoluene

D

32768-54-0

2,3-dichlorotoluene

Conditions
ConditionsYield
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;
95-49-8

2-methylchlorobenzene

118-69-4

2,6-dichlorotoluene

Conditions
ConditionsYield
With iron durch Chlorierung;
59714-30-6

2,6-dichlorobenzaldehyde hydrazone

118-69-4

2,6-dichlorotoluene

Conditions
ConditionsYield
With potassium hydroxide at 150℃;
603-83-8

3-nitro-o-tolylamine

118-69-4

2,6-dichlorotoluene

Conditions
ConditionsYield
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;
98-59-9

p-toluenesulfonyl chloride

A

118-69-4

2,6-dichlorotoluene

B

2077-46-5

1,2,4-trichloro-3-methylbenzene

Conditions
ConditionsYield
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;
108-88-3

toluene

118-69-4

2,6-dichlorotoluene

Conditions
ConditionsYield
With molybdenum(V) chloride durch Chlorierung;
13502-54-0

1-(2',6'-Dichlorobenzyl)-1,4-dihydronicotinamide

A

118-69-4

2,6-dichlorotoluene

B

98-92-0

nicotinamide

C

103872-42-0

1,4-Bis-(2,6-dichloro-benzyl)-1,4-dihydro-pyridine-3-carboxylic acid amide

103872-43-1, 103872-44-2

trans-5-(2,6-dichlorobenzyl)-6-methoxy-1,4,5,6-tetrahydronicotinamide

Conditions
ConditionsYield
In methanol for 7h; Irradiation; Further byproducts given;A 10 % Turnov.
B 24 % Turnov.
C 13 % Turnov.
D 29 % Turnov.
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Specification

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;