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CAS No.: | 608-23-1 |
---|---|
Name: | 3-CHLORO-O-XYLENE |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C8H9Cl |
Molecular Weight: | 140.612 |
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); |
EINECS: | 229-843-4 |
Density: | 1.049 g/cm3 |
Melting Point: | -41.95°C (estimate) |
Boiling Point: | 186 °C at 760 mmHg |
Flash Point: | 63.6 °C |
Solubility: | 20.1mg/L at 24℃ |
Appearance: | Clear colourless to light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 2.95680 |
Conditions | Yield |
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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; |
2,3-dimethylphenyl chloroformate
3-chloro-o-xylene
Conditions | Yield |
---|---|
With aluminium trichloride In various solvent(s) at 200℃; for 3.5h; | 60% |
cis-3,4-dimethylhexa-1,5-diyn-3-ene
A
3-chloro-o-xylene
B
1,4-dichloro-2,3-dimethyl-benzene
Conditions | Yield |
---|---|
With tetrachloromethane at 190℃; | A 5% B 20% |
Conditions | Yield |
---|---|
With disulfur dichloride; aluminium trichloride; sulfuryl dichloride | |
With sulfuryl dichloride |
Conditions | Yield |
---|---|
With hydrogenchloride Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl; |
Conditions | Yield |
---|---|
beim Chlorieren; |
o-xylene
chlorine
acetic acid
A
4-chloro-1,2-dimethylbenzene
B
3-chloro-o-xylene
Conditions | Yield |
---|---|
at 25℃; Rate constant; |
Conditions | Yield |
---|---|
With chlorine; tetrachlorinated 2,8-dimethylphenoxathiine at 20℃; for 5h; | A n/a B 71.5 %Chromat. C n/a |
o-xylene
A
2,4-dimethylchlorobenzene
B
1-chloro-3,5-dimethylbenzene
C
2-chloro-1,4-dimethyl-benzene
D
2,6-dimethyl-1-chlorobenzene
E
4-chloro-1,2-dimethylbenzene
F
3-chloro-o-xylene
G
1,2-dichloro-4,5-dimethyl-benzene
H
1,2-dichloro-3,4-dimethyl-benzene
I
2-methyl-5-chlorobenzyl chloride
J
1,4-dichloro-2,3-dimethyl-benzene
K
3,5-dichloro-o-xylene
L
1-chloromethyl-2-methylbenzene
M
alpha,2-dichloro-6-methyltoluene
Conditions | Yield |
---|---|
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; |
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%.
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%.
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