CAS No.25186-47-4,3 5-DICHLOROTOLUENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25186-47-4
Name:	3 5-DICHLOROTOLUENE
Article Data:	16

Formula:	C₇H₆Cl₂
Molecular Weight:	161.031
Synonyms:	Toluene,3,5-dichloro- (8CI);1,3-Dichloro-5-methylbenzene;Toluene, 3,5-dichloro-;
EINECS:	246-722-1
Density:	1.242 g/cm³
Melting Point:	26°C
Boiling Point:	203.4 °C at 760 mmHg
Flash Point:	79.2 °C
Appearance:	clear liquid
PSA:	0.00000
LogP:	3.30180

Synthetic route

: 99520-05-5
2,6-dichloro-4-methylbenzoic acid

: 25186-47-4
3,5-dichlorotoluene

Conditions

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

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

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%

...Expand

: 19752-55-7
1-bromo-3,5-dichlorobenzene

: 917-54-4
methyllithium

: 25186-47-4
3,5-dichlorotoluene

Conditions

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%

: ethyl 1-bromo-3,5-dichlorobenzene

: 18815-74-2
zinc methyl bromide

: 25186-47-4
3,5-dichlorotoluene

Conditions

Conditions	Yield
With lithium chloride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at -78 - 60℃; Inert atmosphere;	56%

: 2,4-dichloro-6-methylbenzenediazonium tetrafluoroborate

A: 25186-47-4
3,5-dichlorotoluene

B: 118665-00-2
2,4-dichloro-6-methylnitrobenzene

Conditions

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

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%

...Expand

: 56461-98-4
2,6-dichloro-4-methylaniline

: 25186-47-4
3,5-dichlorotoluene

Conditions

Conditions	Yield
With ethyl nitrite; ethanol; sulfuric acid

: 19393-93-2
4-bromo-3,5-dichloro-toluene

: 25186-47-4
3,5-dichlorotoluene

Conditions

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

Conditions	Yield
In tert-butyl alcohol at 50℃; Rate constant;

...Expand

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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.

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