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3,5-Dichloroaniline

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Name

3,5-Dichloroaniline

EINECS 210-948-9
CAS No. 626-43-7 Density 1.401 g/cm3
PSA 26.02000 LogP 3.15680
Solubility water: 0.6 g/L (26 ºC) Melting Point 49 ºC
Formula C6H5Cl2N Boiling Point 260.6 ºC at 760 mmHg
Molecular Weight 162.018 Flash Point 118.3 ºC
Transport Information UN 3442 6.1/PG 2 Appearance white to brown crystals
Safety 28-36/37-45-60-61 Risk Codes 23/24/25-33-50/53
Molecular Structure Molecular Structure of 626-43-7 (3,5-Dichloroaniline) Hazard Symbols ToxicT,DangerousN,IrritantXi
Synonyms

Aniline,3,5-dichloro- (7CI,8CI);3,5-Dichlorobenzenamine;3,5-Dichlorophenylamine;

Article Data 68

3,5-Dichloroaniline Synthetic route

39943-56-1

3,5-dichlorophenylhydrazine

626-43-7

3,5-Dichloroaniline

Conditions
ConditionsYield
aluminum nickel In methanol; water100%
palladium on active charcoal

palladium on active charcoal

aluminium bromide (AlBr3)

aluminium bromide (AlBr3)

634-91-3

3,4,5-trichloroaniline

120-82-1

1,2,4-Trichlorobenzene

626-43-7

3,5-Dichloroaniline

Conditions
ConditionsYield
With hydrogen100%
634-83-3

2,3,4,5-tetrachloroaniline

626-43-7

3,5-Dichloroaniline

Conditions
ConditionsYield
With stannous chloride In aniline100%
palladium on active charcoal

palladium on active charcoal

634-91-3

3,4,5-trichloroaniline

626-43-7

3,5-Dichloroaniline

Conditions
ConditionsYield
aluminium bromide (AlBr3) In dodecane; water99.5%
634-83-3

2,3,4,5-tetrachloroaniline

108-95-2

phenol

626-43-7

3,5-Dichloroaniline

Conditions
ConditionsYield
palladium/charcoal In tantalum; hydrogen99%
634-91-3

3,4,5-trichloroaniline

A

108-42-9

3-chloro-aniline

B

626-43-7

3,5-Dichloroaniline

Conditions
ConditionsYield
A 97.9%
B n/a
18487-39-3

2,3,5-trichloroaniline

7440-05-3

palladium

626-43-7

3,5-Dichloroaniline

Conditions
ConditionsYield
With hydrogenchloride; potassium iodide96.8%
618-62-2

3,5-dichloro-1-nitrobenzene

626-43-7

3,5-Dichloroaniline

Conditions
ConditionsYield
With C36H56Cl3CrN2O; magnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; chemoselective reaction;96%
With hydrogen In methanol; ethyl acetate at 60℃; for 0.333333h; Flow reactor; Green chemistry; chemoselective reaction;93%
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; 1,10-Phenanthroline; isopropyl alcohol; potassium hydroxide at 100℃; for 15h; Inert atmosphere; Schlenk technique;81%
117-18-0

2,3,5,6-Tetrachloronitrobenzene

108-95-2

phenol

626-43-7

3,5-Dichloroaniline

Conditions
ConditionsYield
palladium/charcoal In tantalum94%
108-70-3

1,3,5-trichlorobenzene

626-43-7

3,5-Dichloroaniline

Conditions
ConditionsYield
With ammonium sulfate; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; ammonia; sodium t-butanolate; tert-butyl XPhos In 1,4-dioxane at 100℃; for 24h; Reagent/catalyst; Sealed tube; Inert atmosphere;93%
With lithium amide; ammonia at -50℃;
With ammonia

3,5-Dichloroaniline Specification

The 3,5-Dichloroaniline, with the CAS registry number 626-43-7, is also known as Benzenamine, 3,5-dichloro-. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Amines; C2 to C6; Nitrogen Compounds; Alpha Sort; Aromatics Pesticides & Metabolites; Chemical Class; D; DAlphabetic; DIA - DIC. Its EINECS registry number is 210-948-9. This chemical's molecular formula is C6H5Cl2N and molecular weight is 162.02. What's more, its IUPAC name is the same with its product name.

Physical properties about 3,5-Dichloroaniline are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.78; (6)ACD/BCF (pH 7.4): 66.85; (7)ACD/KOC (pH 5.5): 704.04; (8)ACD/KOC (pH 7.4): 704.71; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 40.27 cm3; (15)Molar Volume: 115.6 cm3; (16)Surface Tension: 48.3 dyne/cm; (17)Density: 1.401 g/cm3; (18)Flash Point: 118.3 °C; (19)Enthalpy of Vaporization: 49.83 kJ/mol; (20)Boiling Point: 260.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0121 mmHg at 25 °C.

Preparation of 3,5-Dichloroaniline: this chemical can be prepared by 1,3,5-Trichlorobenzene.

3,5-Dichloroaniline can be prepared by 1,3,5-Trichlorobenzene.

Uses of 3,5-Dichloroaniline: (1) this chemical is used as intermediate of pesticide and pharmaceutical. It is also used as a raw material for agricultural pesticides. It can also be used for synthetic herbicides, plant growth regulator; (2) it is used to produce other chemicals. For example, it can react with Isothiocyanatobenzene to get N-(3,5-Dichloro-phenyl)-N'-phenyl-thiourea. The reaction occurs with solvent ethanol and other condition of heating for 2 hours. The yield is 75 %.

3,5-Dichloroaniline can react with Isothiocyanatobenzene to get N-(3,5-Dichloro-phenyl)-N'-phenyl-thiourea.

When you are dealing with this chemical, you should be very careful. This chemical may present an immediate or delayed danger to one or more components of the environment. It is toxic by inhalation, in contact with skin and if swallowed. It is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. So you should wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste and you should avoid releasing to the environment. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(N)cc(Cl)c1
(2) InChI: InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
(3) InChIKey: UQRLKWGPEVNVHT-UHFFFAOYSA-N

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