Conditions | Yield |
---|---|
With hydrogen In ethanol; water at 25℃; under 760.051 Torr; for 3h; Autoclave; | 99.9% |
With hydrogen In tetrahydrofuran; water at 120℃; under 22502.3 Torr; for 4h; Autoclave; | 99% |
Stage #1: 2,4-dichloronitrobenzene With 2.0%Pt-0.5%Rh/C In methanol for 0.0833333h; Stage #2: With hydrogen In methanol at 30℃; under 760.051 Torr; for 2.5h; Catalytic behavior; Reagent/catalyst; | 98.9% |
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; sodium iodide In acetonitrile for 0.166667h; Ambient temperature; | 97% |
With sodium sulfide; water for 0.5h; Reflux; | 95% |
With methanol; samarium; iodine for 6h; Ambient temperature; | 86% |
tert-butyl (2,4-dichlorophenyl)carbamate
2,4-Dichloroaniline
Conditions | Yield |
---|---|
With tin(II) trifluoromethanesulfonate In dichloromethane at 20℃; for 2h; | 95% |
Conditions | Yield |
---|---|
With sodium perborate; potassium chloride; sodium vanadate In acetic acid at 20℃; for 2.66667h; Chlorination; | 93% |
2,2',4,4'-Tetrachloroazobenzene
2,4-Dichloroaniline
Conditions | Yield |
---|---|
With perchloric acid In isopropyl alcohol; acetonitrile at 25℃; for 0.933333h; pH=2; Inert atmosphere; Irradiation; | 79% |
2-(2,4-dichlorophenoxy)propanamide
2,4-Dichloroaniline
Conditions | Yield |
---|---|
With potassium hydroxide In dimethyl sulfoxide at 140℃; for 3h; Green chemistry; | 77% |
With potassium hydroxide at 140℃; | 114.3 mg |
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide; Chloroacetamide In N,N-dimethyl-formamide at 90 - 150℃; for 4h; Smiles Aromatic Rearrangement; | 62% |
Multi-step reaction with 2 steps 1: potassium carbonate / acetone / Inert atmosphere; Reflux 2: 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; ammonium carbamate / water; 1,2-dichloro-ethane / 24 h / 33 °C / 760.05 Torr / Sealed tube; Inert atmosphere; Irradiation View Scheme |
Conditions | Yield |
---|---|
With chlorine In chlorobenzene at 15℃; for 6h; Solvent; Reagent/catalyst; Temperature; | A 60% B 35% |
N-(4-chlorophenyl)-O-pivaloylhydroxylamine
A
2-amino-5-chlorophenol
B
2,4-Dichloroaniline
C
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
D
p-benzoquinone
Conditions | Yield |
---|---|
In water; acetonitrile at 40℃; Rate constant; pH=1.0, μ=0.5M; other pH values; other N-aryl-O-pivaloylhydroxylamines; | A 3.6% B 53.2% C 8.3% D 3.8% |
N-(4-chlorophenyl)-O-pivaloylhydroxylamine
A
2,4-Dichloroaniline
B
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
C
p-benzoquinone
Conditions | Yield |
---|---|
In water; acetonitrile at 40℃; pH=4.7 (1:1 HOAc/KOAc); | A 49.6% B 26.2% C 7% |
Conditions | Yield |
---|---|
With 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; ammonium carbamate In water; 1,2-dichloro-ethane at 33℃; under 760.051 Torr; for 24h; Sealed tube; Inert atmosphere; Irradiation; | 45% |
N-(4-chlorophenyl)-O-pivaloylhydroxylamine
diethylamine
A
N-(4-Chlorophenyl)-N',N'-diethylhydrazine
B
2,4-Dichloroaniline
C
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
D
N-(4-chlorophenyl)hydroxylamine
Conditions | Yield |
---|---|
In water; acetonitrile at 25℃; | A 16% B 44% C 7% D 22% |
Conditions | Yield |
---|---|
With N-chlorotriethylammonium chloride In trifluoroacetic acid Ambient temperature; | A 42% B 3% |
aniline
A
2,4-Dichloroaniline
B
4-chloro-aniline
C
2,4,6-trichloroaniline
Conditions | Yield |
---|---|
With hydrogenchloride; sodium chlorate In tetrahydrofuran; water at 20℃; for 20h; | A 6% B 4% C 31% |
With hydrogenchloride; sodium chlorate In tetrahydrofuran; water at 20℃; for 20h; | A 9% B 30% C 9% |
Conditions | Yield |
---|---|
With hydrogenchloride; potassium permanganate In acetonitrile at 60℃; | A 19% B 29% |
4-(4-chlorophenylazo)pyridine
A
4-aminopyridine
D
4-amino-3-chlorophenol
E
2,4-Dichloroaniline
F
(E)-4-(pyridin-4-yldiazenyl)phenol
Conditions | Yield |
---|---|
With sulfuric acid Rate constant; Product distribution; var. conc. of acid; | A 26% B 13% C 15% D 14% E 10% F 2% |
A
4-aminopyridine
C
2,4-Dichloroaniline
D
4-chloro-aniline
F
4-(4-chlorophenylazo)pyridine
Conditions | Yield |
---|---|
With sulfuric acid for 24h; Rate constant; Mechanism; Product distribution; var. conc. of acid; var. time; other (arylazo)pyridine; | A 25% B 21% C 20% D 3% E n/a F 5% |
Conditions | Yield |
---|---|
Kalischmelze; |
Conditions | Yield |
---|---|
With zinc(II) chloride at 185℃; |
Conditions | Yield |
---|---|
With alkali | |
With hydrogenchloride | |
With sulfuric acid at 110 - 120℃; |
N,N-dichloro-aniline
2,4-Dichloroaniline
Conditions | Yield |
---|---|
With hydrogenchloride; diethyl ether |
2,4-Dichloroaniline
chloroform
acetic acid-(2,4,N-trichloro-anilide)
4-chloro-aniline
2,4-Dichloroaniline
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
With hydrogenchloride; tin |
N,N-dichloroethylamine
aniline
A
2,4-Dichloroaniline
B
ethylamine
C
2,4,6-trichloroaniline
N-chloroacetanilide
aniline
benzene
A
2,4-Dichloroaniline
B
N,N-dimethyl-aniline
C
diphenylamine
D
Acetanilid
Conditions | Yield |
---|---|
Produkt5: 3-Dimethylamino-phenylacetat; |
Conditions | Yield |
---|---|
With sulfuryl dichloride; diethyl ether unter Ausschluss von Feuchtigkeit; | |
With N-chloro-succinimide In acetonitrile for 2h; Inert atmosphere; Reflux; | |
Multi-step reaction with 3 steps 1: Autoclave 2: chlorine / 70 - 80 °C 3: hydrogenchloride; water / 2 h / 70 °C View Scheme |
Conditions | Yield |
---|---|
In chloroform | 100% |
In neat (no solvent) at 20℃; for 0.1h; | 94% |
With Co3O4 nanoparticles at 20℃; for 0.166667h; Green chemistry; | 93% |
2,4-Dichloroaniline
chloroacetyl chloride
2-chloro-N-(2,4-dichlorophenyl)acetamide
Conditions | Yield |
---|---|
Stage #1: 2,4-Dichloroaniline With triethylamine In dichloromethane at 20℃; for 0.5h; Stage #2: chloroacetyl chloride In dichloromethane at 0℃; | 100% |
With triethylamine In dichloromethane at 0 - 25℃; | 99.4% |
With triethylamine In dichloromethane at 0 - 25℃; | 99.4% |
trimethylsilyl cyanide
2,4-Dichloroaniline
acetaldehyde
2-(2,4-Dichloro-phenylamino)-propionitrile
Conditions | Yield |
---|---|
With water In dichloromethane for 24h; Ambient temperature; | 100% |
2,4-Dichloroaniline
Acetic formic anhydride
N-(2,4-dichlorophenyl)-formamide
Conditions | Yield |
---|---|
In tetrahydrofuran at -20℃; for 0.25h; | 100% |
In diethyl ether; hexane at 0 - 20℃; |
Conditions | Yield |
---|---|
With tert.-butylnitrite; trimethylsilylazide In acetonitrile at 20℃; for 1h; Inert atmosphere; | 100% |
Stage #1: 2,4-Dichloroaniline With hydrogenchloride In water at 20℃; Inert atmosphere; Stage #2: With sodium nitrite In water at 0 - 5℃; for 0.166667h; Inert atmosphere; Stage #3: With sodium azide In water at 20℃; for 2h; Inert atmosphere; | 89.1% |
Stage #1: 2,4-Dichloroaniline With acetic acid; sodium nitrite In dichloromethane at 20℃; for 0.0833333h; Stage #2: With hydrazine hydrate In dichloromethane at 20℃; for 0.5h; | 85% |
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 24h; | 100% |
Conditions | Yield |
---|---|
Stage #1: 2,4-Dichloroaniline With sodium carbonate In chloroform Cooling with ice; Stage #2: thiophosgene In chloroform for 2h; Cooling with ice; | 99% |
With chloroform Verruehren einer waessr. Suspension; | |
In chloroform at 20℃; for 2h; |
Conditions | Yield |
---|---|
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine; potassium carbonate In acetonitrile at 0 - 5℃; for 1h; | 99% |
chloroformic acid ethyl ester
2,4-Dichloroaniline
ethyl (2,4-dichlorophenyl)carbamate
Conditions | Yield |
---|---|
With pyridine at 0℃; for 2h; | 99% |
In dichloromethane at 20℃; for 0.5h; |
Conditions | Yield |
---|---|
With ammonium formate In water; isopropyl alcohol at 20℃; for 3h; | 99% |
With methylene blue; sodium hydroxide Kinetics; Concentration; pH-value; Temperature; Irradiation; |
2,4-Dichloroaniline
C17H11Cl2N3O2
Conditions | Yield |
---|---|
With acetic acid at 118℃; for 1h; Microwave irradiation; | 99% |
2,4-Dichloroaniline
Conditions | Yield |
---|---|
Stage #1: 2,4-Dichloroaniline With n-Butyl nitrite In water at 10℃; Acidic conditions; Flow reactor; Stage #2: With potassium hydrosulfite In water at 76 - 87℃; Stage #3: With hydrogenchloride In water at 150℃; | 98.2% |
Conditions | Yield |
---|---|
With NaY zeolite functionalized by sulfamic acid/Cu(OAc)2 at 20℃; | 98% |
With PEG-400 at 20℃; | 89% |
formaldehyd
2,4-Dichloroaniline
1-benzyl-3-diazo-1,3-dihydro-2H-indol-2-one
1-benzyl-3-((2,4-dichlorophenyl)amino)-3-(hydroxymethyl)indolin-2-one
Conditions | Yield |
---|---|
With dirhodium tetraacetate In water; ethyl acetate at 60℃; for 2h; | 98% |
With rhodium(II) acetate dimer In ethyl acetate at 60℃; for 2h; | 98% |
With rhodium(II) acetate dimer In ethyl acetate at 60℃; for 2h; |
2,4-Dichloroaniline
2-methyl-4-chloroquinazoline
N-(2,4-dichlorophenyl)-2-methylquinazolin-4-amine
Conditions | Yield |
---|---|
With dmap In toluene at 130℃; for 2h; Catalytic behavior; Microwave irradiation; Sealed tube; | 98% |
2,4-Dichloroaniline
4-chloro-7-methoxy-quinoline-3-carbonitrile
Conditions | Yield |
---|---|
Stage #1: 2,4-Dichloroaniline With sodium hydride In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 4-chloro-7-methoxy-quinoline-3-carbonitrile In N,N-dimethyl-formamide for 1h; Heating; Further stages.; | 97% |
Stage #1: 2,4-Dichloroaniline With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 1h; Stage #2: 4-chloro-7-methoxy-quinoline-3-carbonitrile In N,N-dimethyl-formamide; mineral oil for 2h; Reflux; | 64% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 97% |
With triethylamine In dichloromethane at 0 - 25℃; for 2h; | |
With triethylamine In dichloromethane | 5.9 g (80.4%) |
2,4-Dichloroaniline
4-(2',4'-dichlorophenyl)amino-6-nitroquinazoline
Conditions | Yield |
---|---|
With acetic acid for 2h; Reflux; | 97% |
With acetic acid Reflux; | 49% |
Conditions | Yield |
---|---|
With potassium hydroxide In acetonitrile at 20℃; Inert atmosphere; | 97% |
2,4-Dichloroaniline
Tosyl isocyanate
N-{[2,4-dichlorophenyl]carbamoyl}-4-methylbenzenesulfonamide
Conditions | Yield |
---|---|
In acetonitrile at 20℃; for 0.0833333h; | 96% |
In dichloromethane | 95% |
2,4-Dichloroaniline
Benzoyl isothiocyanate
N-benzoyl-N’-(2,4-dichlorophenyl)thiourea
Conditions | Yield |
---|---|
In tetrahydrofuran at 60 - 65℃; for 0.166667h; Microwave irradiation; | 96% |
In acetone | 76% |
In acetone | |
In ethyl acetate for 2h; Reflux; | |
In acetone at 70℃; for 2h; |
2,4-Dichloroaniline
α-[bis(methylthio)methylene]-2-chloro-β-oxobenzenepropanenitrile
(Z)-2-(2-Chloro-benzoyl)-3-(2,4-dichloro-phenylamino)-3-methylsulfanyl-acrylonitrile
Conditions | Yield |
---|---|
In dichloromethane for 2h; Heating; | 96% |
2,4-Dichloroaniline
3-tert-Butyl-1-methyl-1H-pyrazole-5-carbonyl chloride
Conditions | Yield |
---|---|
With pyridine In dichloromethane Ambient temperature; | 96% |
2,4-Dichloroaniline
phenyl chloroformate
phenyl N-(2,4-dichlorophenyl)carbamate
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In tetrahydrofuran; water at 0 - 20℃; for 0.0833333h; | 96% |
With sodium carbonate In tetrahydrofuran; water; ethyl acetate at 0 - 20℃; for 12h; | 94% |
With pyridine at 0 - 20℃; |
Conditions | Yield |
---|---|
With urea; zinc(II) chloride at 110℃; for 1h; Green chemistry; | 96% |
phthalic anhydride
2,4-Dichloroaniline
2-(2,4-dichlorophenyl)isoindoline-1,3-dione
Conditions | Yield |
---|---|
With acetic acid for 1.5h; Reflux; | 95% |
at 180℃; |
2,4-Dichloroaniline
3,3'-Dihydroxy-4,4'-dioxo-1,1',4,4'-tetrahydro-1,1'-binaphthyliden
3,3'-Bis-(2,4-dichloranilino)-4,4'-dioxo-1,1',4,4'-tetrahydro-1,1'-binaphthyliden
Conditions | Yield |
---|---|
In acetic acid Heating; | 95% |
2,4-Dichloroaniline
N-(2,4-dichloro-phenyl)-sulfur imide oxide
Conditions | Yield |
---|---|
With thionyl chloride sulfinylation; | 95% |
With thionyl chloride In benzene for 4h; Heating; |
This chemical is called 2,4-Dichloroaniline, and its CAS registry number is 554-00-7. With the classification code Mutation data, its product categories are Intermediates of Dyes and Pigments; Chlorobenzene Series; Organics; Amines; AromaticsPesticides & Metabolites; Chemical Class; D; DAlphabetic; DIA - DIC; C2 to C6; Nitrogen Compounds. It should be stored at 0-6°C. Ensure that the surroundings is ventilated and dry. Moreover, this chemical could be obtained by the acetanilide.
Other characteristics of the 2,4-Dichloroaniline can be summarised as followings: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 71.32; (6)ACD/BCF (pH 7.4): 71.34; (7)ACD/KOC (pH 5.5): 738.08; (8)ACD/KOC (pH 7.4): 738.32; (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: 40.27 cm3; (15)Molar Volume: 115.6 cm3; (16)Polarizability: 15.96×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.401 g/cm3; (19)Flash Point: 100.2 °C; (20)Enthalpy of Vaporization: 47.9 kJ/mol; (21)Boiling Point: 242.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0347 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. Besides, it's very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Its container must be disposed of as hazardous waste. Avoid releasing it to the environment. Refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(Cl)c(N)cc1
2.InChI: InChI=1/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
3.InChIKey: KQCMTOWTPBNWDB-UHFFFAOYAS
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LDLo | oral | 113mg/kg (113mg/kg) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" LUNGS, THORAX, OR RESPIRATION: CYANOSIS BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 72, Pg. 241, 1913. |
mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Office of Toxic Substances Report. Vol. OTS, |
mouse | LD50 | oral | 400mg/kg (400mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Office of Toxic Substances Report. Vol. OTS, |
rat | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Office of Toxic Substances Report. Vol. OTS, |
rat | LD50 | oral | 1600mg/kg (1600mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Office of Toxic Substances Report. Vol. |
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