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Cas Database |
| Name |
3,5-Dichlorotoluene |
EINECS | 246-722-1 |
| CAS No. | 25186-47-4 | Density | 1.242 g/cm3 |
| PSA | 0.00000 | LogP | 3.30180 |
| Solubility | N/A | Melting Point |
26°C |
| Formula | C7H6Cl2 | Boiling Point | 203.4 °C at 760 mmHg |
| Molecular Weight | 161.031 | Flash Point | 79.2 °C |
| Transport Information | N/A | Appearance | clear liquid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Toluene,3,5-dichloro- (8CI);1,3-Dichloro-5-methylbenzene;Toluene, 3,5-dichloro-; |
Article Data | 16 |
3,5-Dichlorotoluene Synthetic route
- 99520-05-5
2,6-dichloro-4-methylbenzoic acid
- 25186-47-4
3,5-dichlorotoluene
| Conditions | Yield |
|---|---|
| With silver carbonate In dimethyl sulfoxide at 120℃; for 16h; Sealed tube; | 94% |
- 30273-00-8
2-methyl-4,6-dichloroaniline
- 25186-47-4
3,5-dichlorotoluene
| Conditions | Yield |
|---|---|
| Stage #1: 2-methyl-4,6-dichloroaniline With sulfuric acid In ethanol at 0 - 20℃; Stage #2: With sodium nitrite In ethanol at 20 - 75℃; for 3h; | 84% |
- 69380-94-5
1-((trimethylsilyl)methyl)-3,5-dichlorobenzene
- 100-52-7
benzaldehyde
A
- 25186-47-4
3,5-dichlorotoluene
B
- 82106-06-7
2-(3,5-Dichloro-phenyl)-1-phenyl-ethanol
| Conditions | Yield |
|---|---|
| With hydrogenchloride; potassium fluoride; 18-crown-6 or silica-supported tetrabutylammonium fluoride In tetrahydrofuran at 20℃; for 12h; Yields of byproduct given; | A n/a B 70% |
| Conditions | Yield |
|---|---|
| Stage #1: 1-bromo-3,5-dichlorobenzene With bis(tri-t-butylphosphine)palladium(0); oxygen In toluene at 20℃; for 0.0166667h; Schlenk technique; Stage #2: methyllithium In toluene at 20℃; for 0.0333333h; Schlenk technique; | 64% |
| Conditions | Yield |
|---|---|
| With lithium chloride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at -78 - 60℃; Inert atmosphere; | 56% |
A
- 25186-47-4
3,5-dichlorotoluene
B
- 118665-00-2
2,4-dichloro-6-methylnitrobenzene
| Conditions | Yield |
|---|---|
| With copper; sodium nitrite In diethyl ether; water at 20℃; for 0.25h; | A 5.6 g B 54% |
- 69380-94-5
1-((trimethylsilyl)methyl)-3,5-dichlorobenzene
- 100-39-0
benzyl bromide
A
- 25186-47-4
3,5-dichlorotoluene
B
- 82106-07-8
1,3-Dichloro-5-phenethyl-benzene
| Conditions | Yield |
|---|---|
| With hydrogenchloride; potassium fluoride; 18-crown-6 or silica-supported tetrabutylammonium fluoride In tetrahydrofuran at 20℃; for 12h; Yields of byproduct given; | A n/a B 50% |
- 56461-98-4
2,6-dichloro-4-methylaniline
- 25186-47-4
3,5-dichlorotoluene
| Conditions | Yield |
|---|---|
| With ethyl nitrite; ethanol; sulfuric acid |
- 19393-93-2
4-bromo-3,5-dichloro-toluene
- 25186-47-4
3,5-dichlorotoluene
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In dimethyl sulfoxide; tert-butyl alcohol |
- 69380-94-5
1-((trimethylsilyl)methyl)-3,5-dichlorobenzene
- 865-47-4
potassium tert-butylate
A
- 13058-24-7
tert-butoxytrimethylsilane
B
- 25186-47-4
3,5-dichlorotoluene
| Conditions | Yield |
|---|---|
| In tert-butyl alcohol at 50℃; Rate constant; |
3,5-Dichlorotoluene Specification
The IUPAC name of 3,5-Dichlorotoluene is 1,3-dichloro-5-methylbenzene. With the CAS registry number 25186-47-4, it is also named as Toluene, 3,5-dichloro-. In addition, its molecular formula is C7H6Cl2 and molecular weight is 161.03.
The other characteristics of this product can be summarized as: (1)EINECS: 246-722-1; (2)ACD/LogP: 3.88; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.88; (5)ACD/LogD (pH 7.4): 3.88; (6)ACD/BCF (pH 5.5): 524.18; (7)ACD/BCF (pH 7.4): 524.18; (8)ACD/KOC (pH 5.5): 3077.58; (9)ACD/KOC (pH 7.4): 3077.58; (10)#H bond acceptors: 0; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 0; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 40.86 cm3; (15)Molar Volume: 129.6 cm3; (16)Surface Tension: 35.6 dyne/cm; (17)Density: 1.242 g/cm3; (18)Flash Point: 79.2 °C; (19)Melting Point: 26 °C; (20)Water Solubility: 36.3 mg/L at 25 °C; (21)Enthalpy of Vaporization: 42.17 kJ/mol; (22)Boiling Point: 203.4 °C at 760 mmHg; (23)Vapour Pressure: 0.397 mmHg at 25 °C.
Preparation of 3,5-Dichlorotoluene: this chemical can be prepared by the reaction of Bromomethyl-benzene with 3,5-Dichlorbenzyltrimethylsilan.
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This reaction needs silica-supported tetrabutylammonium fluoride, Dilute HCl and Tetrahydrofuran at temperature of 20 °C. The reaction time is 12 hours. The yield is 50 %.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(cc(Cl)c1)C
(2)InChI: InChI=1/C7H6Cl2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
(3)InChIKey: RYMMNSVHOKXTNN-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H6Cl2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
(5)Std. InChIKey: RYMMNSVHOKXTNN-UHFFFAOYSA-N
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