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3,4-Dichlorotoluene

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Name

3,4-Dichlorotoluene

EINECS 202-447-9
CAS No. 95-75-0 Density 1.242 g/cm3
PSA 0.00000 LogP 3.30180
Solubility Insoluble in water. Miscible with ethanol, ethyl ether, acetone, benzene, carbon tetrachloride. Melting Point -15.2 °C
Formula C7H6Cl2 Boiling Point 208.919 °C at 760 mmHg
Molecular Weight 161.031 Flash Point 80.172 °C
Transport Information UN 2810 Appearance clear colorless to slightly yellow liquid
Safety 23-24/25 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 95-75-0 (3,4-Dichlorotoluene) Hazard Symbols HarmfulXn
Synonyms

Toluene, 3,4-dichloro- (8CI);Benzene, 1,2-dichloro-4-methyl-;

Article Data 25

3,4-Dichlorotoluene Synthetic route

6287-38-3

3,4-dichlorobenzaldehyde

95-75-0

3,4-Dichlorotoluene

Conditions
ConditionsYield
With potassium hydroxide; hydrazine hydrate In diethylene glycol for 6h; Wolff-Kishner reduction; Heating;89%
Multi-step reaction with 2 steps
1: methanol / 60 °C / Inert atmosphere
2: potassium carbonate; methanol; hydrogen; palladium 10% on activated carbon / 24 h / 65 °C / 760.05 Torr
View Scheme
108-41-8

1-chloro-3-methylbenzene

A

19398-61-9

2,5-dichlorotoluene

B

95-75-0

3,4-Dichlorotoluene

Conditions
ConditionsYield
With aluminium; mercury durch Chlorierung;
bei der Chlorierung;
With aluminium; mercury durch Chlorieren;
106-43-4

para-chlorotoluene

A

95-75-0

3,4-Dichlorotoluene

B

95-73-8

2,4-dichlorotoluene

Conditions
ConditionsYield
bei der Chlorierung;
With aluminium; mercury durch Chlorieren;
With iodine; chlorine
6640-27-3

2-chloro-p-cresol

95-75-0

3,4-Dichlorotoluene

Conditions
ConditionsYield
With phosphorus pentachloride
496-72-0

4-methyl-1,2-diaminobenzene

95-75-0

3,4-Dichlorotoluene

Conditions
ConditionsYield
Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl;
108-88-3

toluene

95-75-0

3,4-Dichlorotoluene

Conditions
ConditionsYield
With iodine durch Chlorieren;
With molybdenum(V) chloride durch Chlorieren;
615-65-6

2-chloro-4-methyl-benzenamine

95-75-0

3,4-Dichlorotoluene

Conditions
ConditionsYield
Diazotization.Behandlung der Diazoniumchloridloesung mit Cuprochlorid;
89-62-3

4-methyl-2-nitroaniline

95-75-0

3,4-Dichlorotoluene

Conditions
ConditionsYield
Austausch der Aminogruppe gegen Chlor, Reduktion der Nitrogruppe und Ersatz der neu entstandenen Aminogruppe durch Chlor;
10026-13-8, 874483-75-7

phosphorus pentachloride

2-methyl-8-nitro-thianthrene-5,5,10,10-tetraoxide

A

95-75-0

3,4-Dichlorotoluene

B

4-nitro-benzene-disulfonic acid-(1.2)-dichloride (?)

4-nitro-benzene-disulfonic acid-(1.2)-dichloride (?)

Conditions
ConditionsYield
at 250 - 280℃; im Rohr;
7791-25-5

sulfuryl dichloride

108-88-3

toluene

A

106-43-4

para-chlorotoluene

B

95-75-0

3,4-Dichlorotoluene

C

100-44-7

benzyl chloride

Conditions
ConditionsYield
at 160℃; Product distribution;

3,4-Dichlorotoluene Specification

The 3,4-Dichlorotoluene, with the CAS registry number 95-75-0, is also known as Benzene, 1,2-dichloro-4-methyl-. It belongs to the product categories of Organics; Aryl; C7; Halogenated Hydrocarbons; Alpha Sort; Analytical Standards; Aromatics Chemical Class; Chemical Class; ChloroVolatiles/ Semivolatiles; Halogenated. Its EINECS number is 202-447-9. This chemical's molecular formula is C7H6Cl2 and molecular weight is 161.03. What's more, its systematic name is 1,2-Dichloro-4-methylbenzene. This chemical should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, heat and fire. It is used as a solvent and an organic synthesis intermediate. 

Physical properties of 3,4-Dichlorotoluene are: (1)ACD/LogP: 3.743; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 3.74; (5)ACD/BCF (pH 5.5): 412.04; (6)ACD/BCF (pH 7.4): 412.04; (7)ACD/KOC (pH 5.5): 2590.45; (8)ACD/KOC (pH 7.4): 2590.45; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 40.868 cm3; (14)Molar Volume: 129.61 cm3; (15)Polarizability: 16.201×10-24cm3; (16)Surface Tension: 35.63 dyne/cm; (17)Density: 1.242 g/cm3; (18)Flash Point: 80.172 °C; (19)Enthalpy of Vaporization: 42.702 kJ/mol; (20)Boiling Point: 208.919 °C at 760 mmHg; (21)Vapour Pressure: 0.3 mmHg at 25°C.

Uses of 3,4-Dichlorotoluene: it can be used to produce 1-(4,5-dichloro-2-methyl-phenyl)-ethanone by heating. It will need reagent AlCl3 and solvent CS2 with the reaction time of 24 hours. The yield is about 90%.

3,4-Dichlorotoluene can be used to produce 1-(4,5-dichloro-2-methyl-phenyl)-ethanone by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(Cl)c(Cl)cc1
(2)Std. InChI: InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
(3)Std. InChIKey: WYUIWKFIFOJVKW-UHFFFAOYSA-N 

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