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1-Chloro-2,3-dimethylbenzene

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Name

1-Chloro-2,3-dimethylbenzene

EINECS 229-843-4
CAS No. 608-23-1 Density 1.049 g/cm3
PSA 0.00000 LogP 2.95680
Solubility 20.1mg/L at 24℃ Melting Point -41.95°C (estimate)
Formula C8H9Cl Boiling Point 186 °C at 760 mmHg
Molecular Weight 140.612 Flash Point 63.6 °C
Transport Information N/A Appearance Clear colourless to light yellow liquid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 608-23-1 (3-CHLORO-O-XYLENE) Hazard Symbols IrritantXi
Synonyms

1,2-Dimethyl-3-chlorobenzene;1-Chloro-2,3-dimethylbenzene;2,3-Dimethylchlorobenzene;3-Chloro-1,2-dimethylbenzene;3-Chloro-o-xylene;o-Xylene,3-chloro- (8CI);

Article Data 22

1-Chloro-2,3-dimethylbenzene Synthetic route

95-47-6

o-xylene

A

615-60-1

4-chloro-1,2-dimethylbenzene

B

608-23-1

3-chloro-o-xylene

Conditions
ConditionsYield
With chlorine; iron(III) chloride; 1,3,7,9-tetrachloro-2,8-dimethylphenoxathiin at -5 - 20℃; for 2.5 - 5h; Product distribution / selectivity;A 61.2%
B 10.8%
With chlorine; iron(III) chloride at 22℃; for 2h; Product distribution; study of the effect of the nature of the catalysts (AlCl3, SbCl3, SbCl5, Fe, I2) on the composition of the reaction mass;
With iodine beim Chlorieren;
36018-19-6

2,3-dimethylphenyl chloroformate

608-23-1

3-chloro-o-xylene

Conditions
ConditionsYield
With aluminium trichloride In various solvent(s) at 200℃; for 3.5h;60%
78071-51-9

cis-3,4-dimethylhexa-1,5-diyn-3-ene

A

608-23-1

3-chloro-o-xylene

B

52331-02-9

1,4-dichloro-2,3-dimethyl-benzene

Conditions
ConditionsYield
With tetrachloromethane at 190℃;A 5%
B 20%
95-47-6

o-xylene

608-23-1

3-chloro-o-xylene

Conditions
ConditionsYield
With disulfur dichloride; aluminium trichloride; sulfuryl dichloride
With sulfuryl dichloride
87-59-2

2,3-Dimethylaniline

608-23-1

3-chloro-o-xylene

Conditions
ConditionsYield
With hydrogenchloride Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl;
95-47-6

o-xylene

7553-56-2

iodine

A

615-60-1

4-chloro-1,2-dimethylbenzene

B

608-23-1

3-chloro-o-xylene

Conditions
ConditionsYield
beim Chlorieren;
95-47-6

o-xylene

7782-50-5

chlorine

64-19-7

acetic acid

A

615-60-1

4-chloro-1,2-dimethylbenzene

B

608-23-1

3-chloro-o-xylene

Conditions
ConditionsYield
at 25℃; Rate constant;
95-47-6

o-xylene

A

dichlorinated o-xylenes; mixture of

dichlorinated o-xylenes; mixture of

B

615-60-1

4-chloro-1,2-dimethylbenzene

C

608-23-1

3-chloro-o-xylene

Conditions
ConditionsYield
With chlorine; tetrachlorinated 2,8-dimethylphenoxathiine at 20℃; for 5h;A n/a
B 71.5 %Chromat.
C n/a
95-47-6

o-xylene

A

95-66-9

2,4-dimethylchlorobenzene

B

556-97-8

1-chloro-3,5-dimethylbenzene

C

95-72-7

2-chloro-1,4-dimethyl-benzene

D

6781-98-2

2,6-dimethyl-1-chlorobenzene

E

615-60-1

4-chloro-1,2-dimethylbenzene

F

608-23-1

3-chloro-o-xylene

G

20824-80-0

1,2-dichloro-4,5-dimethyl-benzene

H

68266-67-1

1,2-dichloro-3,4-dimethyl-benzene

I

34060-72-5

2-methyl-5-chlorobenzyl chloride

J

52331-02-9

1,4-dichloro-2,3-dimethyl-benzene

K

70172-92-8

3,5-dichloro-o-xylene

L

552-45-4

1-chloromethyl-2-methylbenzene

M

55676-90-9

alpha,2-dichloro-6-methyltoluene

Conditions
ConditionsYield
With chlorine; the fluorine-containing K-L-type zeolite In 1,2-dichloro-ethane at 80℃; for 1.75 - 3.66667h; Product distribution / selectivity;
With chlorine; a K-L-type zeolite In 1,4-dioxane; 1,2-dichloro-ethane at 80℃; for 6.75h;
95-47-6

o-xylene

A

615-60-1

4-chloro-1,2-dimethylbenzene

B

608-23-1

3-chloro-o-xylene

C

552-45-4

1-chloromethyl-2-methylbenzene

Conditions
ConditionsYield
With N-chloro-succinimide; copper dichloride at 102℃; under 2625.26 Torr; for 0.0666667h; Microwave irradiation; Darkness; chemoselective reaction;

1-Chloro-2,3-dimethylbenzene Specification

The CAS registry number of Benzene,1-chloro-2,3-dimethyl- is 608-23-1. The systematic name is 1-chloro-2,3-dimethylbenzene. In addition, the molecular formula is C8H9Cl and the molecular weight is 140.61. It is also called 3-Chloro-o-xylene. What's more, it is a kind of clear colourless to light yellow liquid and belongs to the classes of Aromatic Halides (substituted); Halogen toluene; Chlorine Compounds. What's more, it should be stored in sealed container, and placed in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 405.01; (6)ACD/BCF (pH 7.4): 405.01; (7)ACD/KOC (pH 5.5): 2558.75; (8)ACD/KOC (pH 7.4): 2558.75; (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: 1.521; (14)Molar Refractivity: 40.79 cm3; (15)Molar Volume: 133.9 cm3; (16)Polarizability: 16.17×10-24cm3; (17)Surface Tension: 31.9 dyne/cm; (18)Enthalpy of Vaporization: 40.49 kJ/mol; (19)Vapour Pressure: 0.931 mmHg at 25°C.

Preparation of Benzene,1-chloro-2,3-dimethyl-: it can be prepared by 2,3-Dimethylphenyl-chlorameisensaeureester. This reaction will need reagent AlCl3 and various solvents. The reaction time is 210 minutes at reaction temperature of 200 °C. The yield is about 60%.

Benzene,1-chloro-2,3-dimethyl- can be prepared by 2,3-Dimethylphenyl-chlorameisensaeureester

Uses of Benzene,1-chloro-2,3-dimethyl-: it can be used to get 3-chloro-phthalic acid. This reaction will need reagents cetyltrimethylammonium bromide and KMnO4, and solvent H2O. The reaction time is 24 hours at reaction temperature of 50-60 °C. The yield is about 40%.

Benzene,1-chloro-2,3-dimethyl- can be used to get 3-chloro-phthalic acid.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, 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: Clc1cccc(c1C)C
(2)InChI: InChI=1/C8H9Cl/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
(3)InChIKey: NVLHGZIXTRYOKT-UHFFFAOYAS

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