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CAS No.: | 95-82-9 |
---|---|
Name: | 2,5-Dichloroaniline |
Article Data: | 72 |
Molecular Structure: | |
Formula: | C6H5Cl2N |
Molecular Weight: | 162.018 |
Synonyms: | Lake Scarlet GG Base;Hiltonil Fast Scarlet 2G Base;Azoene Fast Scarlet 2G Base;Naphtoelan Fast Scarlet GG Base;Fast scarlet 2g base;Naphtoelan fast scarlet GG salt;Amarthol fast scarlet GG salt;Mitsui scarlet GG salt;CI Azoic Diazo Component 3;Symulon scarlet 2g salt;Kayaku Scarlet GG Base;Azogene Fast Scarlet GGC;Spectrolene Scarlet 2G; |
EINECS: | 202-455-2 |
Density: | 1.401 g/cm3 |
Melting Point: | 48 °C |
Boiling Point: | 250.999 °C at 760 mmHg |
Flash Point: | 100.361 °C |
Solubility: | water: 0.56 g/L (20 °C) |
Appearance: | light brown solid |
Hazard Symbols: | T,N |
Risk Codes: | 23/24/25-33-50/53 |
Safety: | 28-36/37-45-60-61-28 |
Transport Information: | UN 3442 6.1/PG 2 |
PSA: | 26.02000 |
LogP: | 3.15680 |
Conditions | Yield |
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With hydrogen; zinc dibromide; palladium on activated charcoal In ethyl acetate under 760 Torr; | 100% |
99% | |
With platinum on activated charcoal; hydrogen at 60℃; for 1h; Temperature; Inert atmosphere; Autoclave; Supercritical conditions; | 99.4% |
Conditions | Yield |
---|---|
Stage #1: para-dichlorobenzene With sulfuric acid; nitric acid Stage #2: With platinum on activated charcoal; hydrogen In acetic acid under 3102.97 Torr; | 95% |
With ammonium hydroxide; bis(acetylacetonate)oxovanadium; tetrabutylammomium bromide; dihydrogen peroxide In acetonitrile at 90℃; for 5h; Reagent/catalyst; Solvent; Time; Molecular sieve; | 57% |
Multi-step reaction with 2 steps 1: H2SO4; HNO3 2: 88.9 percent / aq. H2SO4 / ethanol / 48 - 50 °C / Electrochemical reaction View Scheme | |
Multi-step reaction with 2 steps 1: bei der Nitrierung 2: tin; hydrochloric acid View Scheme |
2,5-dichlorobenzeneboronic acid
2,5 dichloroaniline
Conditions | Yield |
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With copper(I) oxide; ammonium hydroxide; air In methanol at 20℃; for 20h; | 89% |
Conditions | Yield |
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With sulfuric acid for 3h; Heating; | 82% |
pyridine
(2,5-dichlorophenyl)hydrazine
A
2,5 dichloroaniline
B
para-dichlorobenzene
C
2-(2,5-dichlorophenyl)pyridine
D
4-(2,5-Dichloro-phenyl)-pyridine
Conditions | Yield |
---|---|
With KO2 for 10h; Ambient temperature; Yield given. Further byproducts given; | A 6% B 59% C n/a D n/a |
(2,5-dichlorophenyl)hydrazine
A
2,5 dichloroaniline
B
para-dichlorobenzene
C
2-(2,5-dichlorophenyl)pyridine
D
4-(2,5-Dichloro-phenyl)-pyridine
Conditions | Yield |
---|---|
With KO2 In pyridine for 10h; Ambient temperature; Further byproducts given; | A 6% B 59% C n/a D n/a |
Conditions | Yield |
---|---|
With acetic acid Durch Chlorieren und Destillation des Reaktionsproduktes mit Natronlauge; | |
With acetic acid Durch Chlorieren; |
Conditions | Yield |
---|---|
With acetic acid Verseifen des Reaktionsproduktes; | |
With acetic acid und Verseifung des Reaktionsproduktes; |
1,4-dichloro-2-nitroso-benzene
sodium methylate
A
2,5 dichloroaniline
B
bis-(2,5-dichloro-phenyl)-diazene-N-oxide
Conditions | Yield |
---|---|
at 230 - 240℃; |
The 2,5-Dichloroaniline, with the CAS registry number 95-82-9, is also known as Benzenamine, 2,5-dichloro-. It belongs to the product categories of Intermediates of Dyes and Pigments; Dyes and Pigments; Amines; C2 to C6; Nitrogen Compounds; Alpha Sort; Aromatics Pesticides & Metabolites; Chemical Class; D; DAlphabetic; DIA - DIC. Its EINECS registry number is 202-455-2. 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. It should be stored in a cool, dry and well-ventilated place.
Physical properties about 2,5-Dichloroaniline are: (1)ACD/LogP: 2.715; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.10; (6)ACD/BCF (pH 7.4): 68.11; (7)ACD/KOC (pH 5.5): 714.10; (8)ACD/KOC (pH 7.4): 714.18; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 40.279 cm3; (15)Molar Volume: 115.615 cm3; (16)Polarizability: 15.968×10-24 cm3; (17)Surface Tension: 48.33 dyne/cm; (18)Density: 1.401 g/cm3; (19)Flash Point: 100.361 °C; (20)Enthalpy of Vaporization: 48.829 kJ/mol; (21)Boiling Point: 250.999 °C at 760 mmHg; (22)Vapour Pressure: 0.021 mmHg at 25 °C.
Preparation of 2,5-Dichloroaniline: This chemical can be prepared by pyridine with (2,5-dichloro-phenyl)-hydrazine. This reaction needs reagent KO2 at ambient temperature. The reaction time is 10 hours. The yield is 59 %.
Uses of 2,5-Dichloroaniline: (1) It is used for synthetizing dye intermediates, it is also used in the manufacture of nitrogen fertilizer synergist. (2) It is used to produce other chemicals. For example, it can react with formic acid to get formic acid-(2,5-dichloro-anilide). This reaction temperature is 20 °C. The reaction time is 72 hours. The yield is 67 %.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels. It's very toxic by inhalation, in contact with skin and if swallowed. So you should keep it away from food, drink and animal feeding stuffs. After contacting with skin, you should wash immediately with plenty of abluent which is be specified by the manufacturer. In case of accident or if you feel unwell seek medical advice immediately. In addition, it may present an immediate or delayed danger to one or more components of the environment. This chemical very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. What's more, it may cause danger of cumulative effects. Therefore, this material and its container must be disposed of as hazardous waste. And you should refer to special instructions/safety data sheet before releasing it to the environment.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(Cl)c(N)c1
(2) InChI: InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
(3) InChIKey: AVYGCQXNNJPXSS-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | 3750mg/kg (3750mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(4), Pg. 8, 1968. |
mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | Office of Toxic Substances Report. Vol. OTS, | |
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00202, | |
mouse | LD50 | oral | 1600mg/kg (1600mg/kg) | Office of Toxic Substances Report. Vol. OTS, | |
rabbit | LD50 | oral | 3750mg/kg (3750mg/kg) | LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(4), Pg. 8, 1968. |
rat | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | Office of Toxic Substances Report. Vol. OTS, | |
rat | LD50 | oral | 1600mg/kg (1600mg/kg) | Office of Toxic Substances Report. Vol. OTS, |