2-Chloro-4-nitroaniline supplier

Name
2-Chloro-4-nitroaniline
EINECS 204-502-2
CAS No. 121-87-9
Article Data73
CAS DataBase
Density 1.494 g/cm³
Solubility 0.23 g/L (20 °C) in water
Melting Point 107-110 °C
Formula C₆H₅ClN₂O₂
Boiling Point 326.2 °C at 760 mmHg
Molecular Weight 172.571
Flash Point 151.1 °C
Transport Information UN 2237 6.1/PG 3
Appearance yellow crystalline powder
Safety 22-24-61
Risk Codes 22-51/53
Molecular Structure
Hazard Symbols Xn,N
Synonyms Aniline,2-chloro-4-nitro- (7CI,8CI);1-Amino-2-chloro-4-nitrobenzene;2-Chloro-4-nitrophenylamine;4-Nitro-2-chloroaniline;NSC 3548;OCPNA;o-Chloro-p-nitroaniline;
PSA 71.84000
LogP 2.93480

Synthetic route

: 2-Chlor-4-nitrophenylazid

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
With methyltriphenylphosphonium tetrahydroborate In dichloromethane Reduction; Heating;	100%
With Zn(BH4)2(Ph3P)2 In tetrahydrofuran for 1h; Reduction;	100%
With butyltriphenylphosphonium tetrahydroborate In dichloromethane at 20℃; for 0.0333333h;	98%
With (1,4-diazabicyclo{2.2.2}-octane)zinc(II) tetrahydoborate In tetrahydrofuran for 0.58h; Heating;	92%
Stage #1: 2-Chlor-4-nitrophenylazid With 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; tert-butyl alcohol In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: With sodium t-butanolate In tetrahydrofuran at 20℃; for 12h; Inert atmosphere; chemoselective reaction;	86%

: 99-54-7
3,4-dichloronitrobenzene

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
With ammonium hydroxide; tetrabutylammomium bromide; copper(l) chloride In water at 140℃; under 24002.4 Torr; Reagent/catalyst; Temperature; Pressure;	99.45%
With ethanol; ammonia at 210℃;
With ammonium hydroxide at 160℃;

: 100-01-6
4-nitro-aniline

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
With sulfuric acid; chlorine at 35℃; under 1500.15 Torr; for 2.5h; Temperature; Flow reactor;	98.4%
With N-chloro-N-(benzenesulfonyl)benzenesulfonamide In acetonitrile at 20 - 25℃; Reagent/catalyst; Solvent; Temperature; Green chemistry;	98.5%
With sodium periodate; sulfuric acid; sodium dodecyl-sulfate; acetic acid; sodium chloride In water at 25℃; for 1h;	95%

: 121-73-3
3-Chloronitrobenzene

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
With 4-amino-1,2,4-triazole; potassium tert-butylate In dimethyl sulfoxide for 4h; Ambient temperature;	91%
With potassium tert-butylate; N,N-tetramethylene-thiocarbamoyl-sulphenamide In N,N-dimethyl-formamide at 20℃; for 0.333333h;	86%
With potassium tert-butylate; N,N-tetramethylene-thiocarbamoyl-sulphenamide In N,N-dimethyl-formamide at 20℃; for 0.333333h;	86%

: 100-01-6
4-nitro-aniline

A: 99-30-9
4-nitro-2,6-dichloroaniline

B: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
With N-chloro-N-(benzenesulfonyl)benzenesulfonamide In 1,4-dioxane at 20 - 25℃; Solvent; Green chemistry;	A n/a B 50%
With hydrogenchloride; sodium chlorate In water; acetic acid at 20℃; for 40h;	A 9% B 32%
Chlorierung;
With methanol; chlorine

: 121-73-3
3-Chloronitrobenzene

A: 769-11-9
2-chloro-6-nitroaniline

B: 89-63-4
4-Chloro-2-nitroaniline

C: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
With 2,4,6-trichlorosulfenamide; potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 0.333333h;	A 26% B 7% C 38%
With O-Methylhydroxylamin; potassium tert-butylate; copper(l) chloride In N,N-dimethyl-formamide for 1h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With potassium tert-butylate; N,N,N-trimethylhydrazinium iodide In dimethyl sulfoxide Ambient temperature; Yield given. Yields of byproduct given;
With O-Methylhydroxylamin; potassium tert-butylate; copper(l) chloride In N,N-dimethyl-formamide at 20℃; Substitution; Amination; Title compound not separated from byproducts;

...Expand

: 507-40-4
tert-butylhypochlorite

: 100-01-6
4-nitro-aniline

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
With benzene

: 579-11-3
N-chloroacetanilide

: 100-01-6
4-nitro-aniline

A: 103-84-4
Acetanilid

B: 121-87-9
2-Chloro-4-nitroaniline

...Expand

: 112160-74-4
acetic acid-(2,4,N-trichloro-anilide)

: 100-01-6
4-nitro-aniline

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
With chloroform

: 3874-84-8
2-amino-5-sulhpoamoylnaphthalene-azo-(2'-chloro-4'-nitrobenzene)

A: 118876-56-5
5,6-Diamino-naphthalene-1-sulfonic acid amide

B: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
In methanol; water Product distribution; potential -300 mV; constant potential coulometry, acid medium; -750 mV in alkaline medium;

4-nitro alcohol: 4-nitro alcohol

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
With hydrogenchloride; chlorine bei Siedetemperatur;

: 7647-01-0
hydrogenchloride

: 100-01-6
4-nitro-aniline

potassium chlorate: potassium chlorate

A: 99-30-9
4-nitro-2,6-dichloroaniline

B: 121-87-9
2-Chloro-4-nitroaniline

...Expand

: 99-54-7
3,4-dichloronitrobenzene

: 7664-41-7
ammonia

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
at 210℃;

: 533-17-5
N-(2-chlorophenyl)acetamide

: 7697-37-2
nitric acid

: 108-24-7
acetic anhydride

: 64-19-7
acetic acid

A: 72487-80-0
N-(2-chloro-6-nitrophenyl)acetanilide

B: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
at -5℃; und Behandeln des danach isolierten Reaktionsprodukts mit wss.-aethanol. Kalilauge;

...Expand

: 619-16-9
1-chloro-2,4-dinitrobenzene

: 7664-41-7
ammonia

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
at 25℃; Kinetics;

: 619-16-9
1-chloro-2,4-dinitrobenzene

: 7664-41-7
ammonia

A: 5131-58-8
2,4-diaminonitrobenzene

B: 619-18-1
2,5-dinitroaniline

C: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
at 100℃;

...Expand

: 6380-05-8
N-tosyl-2-chloroaniline

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: water; acetic acid; nitric acid 2: aqueous sulfuric acid View Scheme
Multi-step reaction with 2 steps 1: acetic acid; water; nitric acid 2: aqueous sulfuric acid View Scheme

: 95-51-2
2-Chloroaniline

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous acetic acid 2: acetic acid; acetic acid anhydride; nitric acid / Behandeln des Reaktionsprodukts mit wss.-aethanol.Kalilauge View Scheme

: 50-65-7
Niclosamide

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 80℃; for 6h; Kinetics; Concentration; Temperature;

: 95-50-1
1,2-dichloro-benzene

: 121-87-9
2-Chloro-4-nitroaniline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sulfuric acid; sulfur trioxide; nitric acid / water / 30 - 60 °C 2: tetrabutylammomium bromide; copper(l) chloride; ammonium hydroxide / water / 140 °C / 24002.4 Torr View Scheme
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 0 - 5 °C / Green chemistry 2: ammonia / water / Autoclave; Heating; Green chemistry View Scheme

: 121-87-9
2-Chloro-4-nitroaniline

: 615-66-7
2-chloro-p-phenylenediamine

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol; water at 80℃; for 1h; chemoselective reaction;	100%
With hydrogen In ethanol; water at 25℃; under 760.051 Torr; for 2.5h; Autoclave;	99.9%
With hydrazine hydrate In ethanol at 85℃; for 4h;	99.2%

: 121-87-9
2-Chloro-4-nitroaniline

: 2258-42-6
Acetic formic anhydride

: 16135-32-3
2-chloro-4-nitroformanilide

Conditions

Conditions	Yield
In tetrahydrofuran at 25℃; for 3h;	100%

: 24424-99-5
di-tert-butyl dicarbonate

: 121-87-9
2-Chloro-4-nitroaniline

: 252019-65-1
tert-butyl N-[(tert-butoxy)carbonyl]-N-(2-chloro-4-nitrophenyl)carbamate

Conditions

Conditions	Yield
With dmap In tetrahydrofuran at 25℃; for 3h;	100%
With dmap In tetrahydrofuran at 20℃;	100%
With dmap In tetrahydrofuran at 20℃; for 16h;
With dmap In tetrahydrofuran for 1h; Reflux;
With dmap In tetrahydrofuran for 1h; Reflux;

: 88258-42-8
4-methoxy-6-hydroxybenzofuran-5-carboxylic acid

: 121-87-9
2-Chloro-4-nitroaniline

: 914485-64-6
6-hydroxy-4-methoxy-benzofuran-5-carboxylic acid (2-chloro-4-nitro-phenyl)-amide

Conditions

Conditions	Yield
With phosphorus trichloride In chlorobenzene for 3h; Heating;	100%

: 541-41-3
chloroformic acid ethyl ester

: 121-87-9
2-Chloro-4-nitroaniline

: (2-Chloro-4-nitro-phenyl)-carbamic acid ethyl ester

Conditions

Conditions	Yield
With magnesium oxide In acetonitrile for 24h; Heating / reflux;	100%

: 21273-15-4
trimethylsilyl ester of hydrocinnamic acid

: 121-87-9
2-Chloro-4-nitroaniline

: 2'-chloro-4'-nitro-3-phenylpropananilide

Conditions

Conditions	Yield
With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride In dichloromethane for 20h; Ambient temperature;	99%
With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride In dichloromethane for 20h; Ambient temperature;	99%

: 121-87-9
2-Chloro-4-nitroaniline

: 135-19-3
β-naphthol

: 2814-77-9
1-[(2-chloro-4-nitrophenyl)azo]-2-naphthol

Conditions

Conditions	Yield
Stage #1: 2-Chloro-4-nitroaniline With hydrogenchloride; sodium nitrite In water at 20℃; for 0.333333h; Stage #2: β-naphthol In water at 20℃; for 0.666667h;	99%
Stage #1: 2-Chloro-4-nitroaniline With hydrogenchloride; sodium nitrite In water at 20℃; for 0.333333h; Green chemistry; Stage #2: β-naphthol In water at 20℃; for 0.166667h; Green chemistry;	99%
With hydrogenchloride; sodium nitrite 1.) H2O; Multistep reaction;
Stage #1: 2-Chloro-4-nitroaniline With hydrogenchloride In water at 70℃; for 1h; Stage #2: With sodium nitrite In water for 1.5h; Stage #3: β-naphthol Further stages;

: 121-87-9
2-Chloro-4-nitroaniline

: 73557-65-0
1,2-dibromo-3-chloro-5-nitro-benzene

Conditions

Conditions	Yield
With tert.-butylnitrite; bromine; copper(ll) bromide In acetonitrile at 50℃; for 0.5h;	99%
Multi-step reaction with 2 steps 1: durch Bromierung View Scheme

: 121-87-9
2-Chloro-4-nitroaniline

: 20201-04-1
1,2-bis(2-chloro-4-nitrophenyl)disulfane

Conditions

Conditions	Yield
Stage #1: 2-Chloro-4-nitroaniline With tetrafluoroboric acid; sodium nitrite In water; acetone at -20 - 0℃; for 0.333333h; Stage #2: With carbon disulfide; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate In dimethyl sulfoxide at 20℃; for 6h; Concentration; Irradiation;	99%
Multi-step reaction with 2 steps 1: (i) (diazotization), (ii) aq. AcOH, SO2, CuCl2, NaNO3 2: aq. HI View Scheme
Multi-step reaction with 2 steps 1: aqueous H2SO4 / Diazotization.Behandlung der Diazoniumsalz-Loesung mit Kaliumthiocyanat und FeCl3 2: ethanolic (NH4)2 S View Scheme

: 16883-61-7
trimethylsilyl isobutyrate

: 121-87-9
2-Chloro-4-nitroaniline

: 2'-chloro-2-methyl-4'-nitroapropananilide

Conditions

Conditions	Yield
With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride In dichloromethane for 20h; Ambient temperature;	98%
With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride In dichloromethane for 20h; Ambient temperature;	98%

: 55557-13-6
3-methylbutyric acid trimethylsilyl ester

: 121-87-9
2-Chloro-4-nitroaniline

: 2'-chloro-3-methyl-4'-nitroabutananilide

Conditions

Conditions	Yield
With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride In dichloromethane for 20h; Ambient temperature;	98%
With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride In dichloromethane for 20h; Ambient temperature;	98%

: 4482-01-3
o-benzenedisulfonimide

: 121-87-9
2-Chloro-4-nitroaniline

: 2-chloro-4-nitrobenzenediazonium o-benzenedisulfonimide

Conditions

Conditions	Yield
With acetic acid; isopentyl nitrite at 0 - 5℃;	98%

: 121-69-7
N,N-dimethyl-aniline

: 121-87-9
2-Chloro-4-nitroaniline

: 3150-84-3
N,N-dimethyl-4-(2-chloro-4-nitrophenylazo)aniline

Conditions

Conditions	Yield
Stage #1: 2-Chloro-4-nitroaniline With hydrogenchloride In water at 0 - 5℃; for 0.0833333h; Stage #2: N,N-dimethyl-aniline In water for 0.0833333h;	98%
Stage #1: 2-Chloro-4-nitroaniline With hydrogenchloride In water at 0 - 20℃; for 0.166667h; Stage #2: N,N-dimethyl-aniline In water at 0 - 5℃; for 0.166667h;	86%

: 121-87-9
2-Chloro-4-nitroaniline

: 99-29-6
1-amino-2-bromo-4-nitro-6-chlorobenzene

Conditions

Conditions	Yield
With sodium chlorate; sulfuric acid; hydrogen bromide In water at 35 - 65℃;	97.62%
With acetic acid; potassium bromide In water at 30℃; for 1h;	95%
durch Bromierung;

: 37170-49-3
trimethylsilyl 2,2-dimethylpropionate

: 121-87-9
2-Chloro-4-nitroaniline

: 2'-chloro-2,2-dimethyl-4'-nitroapropananilide

Conditions

Conditions	Yield
With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride In dichloromethane for 20h; Ambient temperature;	97%
With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride In dichloromethane for 20h; Ambient temperature;	97%

: 62-53-3
aniline

: 121-87-9
2-Chloro-4-nitroaniline

: C12H9ClN4O2

Conditions

Conditions	Yield
Stage #1: 2-Chloro-4-nitroaniline With hydrogenchloride; sodium nitrite In water at 0 - 5℃; for 2.75h; Stage #2: aniline With sodium hydroxide In water at 0 - 5℃; for 3h; pH=6; Concentration; Solvent;	95.7%
Stage #1: 2-Chloro-4-nitroaniline With hydrogenchloride; sodium nitrite In water at 0 - 5℃; for 2.5h; Stage #2: aniline With sodium hydroxide In water at 0 - 5℃; for 3h; pH=6;	94.2%

: 2754-27-0
trimethylsilyl acetate

: 121-87-9
2-Chloro-4-nitroaniline

: 881-87-8
N-(2-chloro-4-nitrophenyl)acetamide

Conditions

Conditions	Yield
With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride In dichloromethane for 20h; Ambient temperature;	95%
With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride In dichloromethane for 20h; Ambient temperature;	95%

: 55557-15-8
trimethylsilyl 2-methylbenzoate

: 121-87-9
2-Chloro-4-nitroaniline

: 2'-chloro-2-methyl-4'-nitrobenzanilide

Conditions

Conditions	Yield
With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride In dichloromethane for 20h; Ambient temperature;	95%
With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride In dichloromethane for 20h; Ambient temperature;	95%

: 64-18-6
formic acid

: 121-87-9
2-Chloro-4-nitroaniline

: 16135-32-3
2-chloro-4-nitroformanilide

Conditions

Conditions	Yield
With 4-(trifluoromethyl)benzoic anhydride; ytterbium(III) triflate In dichloromethane; water for 6h; Heating;	95%

: 19248-13-6
N1-ethyl-N1-(3-methylphenyl)-1,2-ethanediamine

: 121-87-9
2-Chloro-4-nitroaniline

: C17H20ClN5O2

Conditions

Conditions	Yield
Stage #1: 2-Chloro-4-nitroaniline With hydrogenchloride; urea; sodium nitrite In 1,4-dioxane; water at 0 - 5℃; for 2h; Stage #2: N1-ethyl-N1-(3-methylphenyl)-1,2-ethanediamine In 1,4-dioxane at 0 - 5℃; for 3h; pH=6; Solvent;	94.19%

: 57-13-6
urea

: 108-44-1
1-amino-3-methylbenzene

: 121-87-9
2-Chloro-4-nitroaniline

: C13H11ClN4O2

Conditions

Conditions	Yield
Stage #1: 2-Chloro-4-nitroaniline With hydrogenchloride In water at 0 - 5℃; for 2.5h; Sonication; Stage #2: urea In water for 0.25h; Stage #3: 1-amino-3-methylbenzene With sodium hydroxide In water at 0 - 5℃; for 4h; pH=6;	92.25%

...Expand

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 121-87-9
2-Chloro-4-nitroaniline

: 103976-17-6
2-[(2-Chloro-4-nitro-phenylamino)-methylene]-malonic acid diethyl ester

Conditions

Conditions	Yield
for 1h; Heating;	92%

: 121-87-9
2-Chloro-4-nitroaniline

: 121-73-3
3-Chloronitrobenzene

Conditions

Conditions	Yield
With tetrahydrofuran; tert.-butylnitrite; dimethyl sulfoxide at 30℃; for 1h; Green chemistry;	92%
Stage #1: 2-Chloro-4-nitroaniline With Nitrogen dioxide In acetonitrile at -20℃; Diazotization; Stage #2: With calcium bis(hypophosphite); Fe2SO4*7H2O In methanol; acetonitrile at 20℃; Dediazonation;	87%
With sulfuric acid; ethyl acetate; sodium nitrite In water at 50 - 55℃; for 0.5h;	50%
Multi-step reaction with 3 steps 1: 98 percent / i-pentyl nitrite; HOAc / 0 - 5 °C 2: 91 percent / aq. NaOH / 0.5 h / 0 - 5 °C 3: 9 percent / aq. HBr / acetonitrile / 0.5 h / 60 °C View Scheme
Multi-step reaction with 3 steps 1: 98 percent / i-pentyl nitrite; HOAc / 0 - 5 °C 2: 91 percent / aq. NaOH / 0.5 h / 0 - 5 °C 3: 2 percent / aq. HI; HBF4 / acetonitrile / 0.5 h / 60 °C View Scheme

: 121-87-9
2-Chloro-4-nitroaniline

: 2043-61-0
cyclohexanecarbaldehyde

: 541533-64-6
N-(2-chloro-4-nitrophenyl)cyclohexanecarboxamide

Conditions

Conditions	Yield
Stage #1: 2-Chloro-4-nitroaniline With tert.-butylnitrite; trimethylsilylazide In tetrahydrofuran at 0℃; Stage #2: cyclohexanecarbaldehyde With 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; sodium t-butanolate In tetrahydrofuran at -25℃;	92%

: 504-17-6
4,6-dihydroxy-2-mercaptopyrimidine

: 122-51-0
orthoformic acid triethyl ester

: 121-87-9
2-Chloro-4-nitroaniline

: 5-[[(2-chloro-4-nitrophenyl)amino]methylene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Conditions

Conditions	Yield
In butan-1-ol for 4h; Reflux;	91%

...Expand

: 122-04-3
4-nitro-benzoyl chloride

: 121-87-9
2-Chloro-4-nitroaniline

: 14105-73-8
N-(2-chloro-4-nitrophenyl)-4-nitrobenzamide

Conditions

Conditions	Yield
In chlorobenzene at 130 - 132℃; for 2.5h;	90%
With N-ethyl-N,N-diisopropylamine In toluene at 100℃; for 0.5h; Microwave irradiation;	71%

2-Chloro-4-nitroaniline Consensus Reports

Reported in EPA TSCA Inventory.

2-Chloro-4-nitroaniline Specification

The IUPAC name of this product is 2-chloro-4-nitroaniline. With the CAS registry number 121-87-9, it is also named as 1-Amino-2-chloro-4-nitrobenzene; 4-12-00-01675 (Beilstein Handbook Reference); Aniline, 2-chloro-4-nitro-; BRN 0638657; Benzenamine, 2-chloro-4-nitro-; CCRIS 2648; ortho-Chloro-para-nitroaniline. The product's categories are intermediates of dyes and pigments, pharmacetical, functional materials and organic nonlinear optical materials.

The 2-Chloro-4-nitroaniline is yellow crystalline powder which is soluble in ethanol, ether and benzene, slightly soluble in water and acid, insoluble in crude petrol. It is stable and incompatible with strong oxidizing agents, strong bases, strong acids. This chemical is used in organic synthesis, also used as dye intermediates.

The 2-Chloro-4-nitroaniline is harmful if swallowed. Inhalation, ingestion or skin contact with material may cause severe injury or death. So people must avoid any skin contact and not breathe dust. Fire may produce irritating, corrosive and/or toxic gases. This product may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.43; (6)ACD/BCF (pH 7.4): 43.43; (7)ACD/KOC (pH 5.5): 517.54; (8)ACD/KOC (pH 7.4): 517.54; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 41.92 cm³; (14)Molar Volume: 115.5 cm³; (15)Polarizability: 16.62×10^-24 cm³; (16)Surface Tension: 62.2 dyne/cm; (17)Enthalpy of Vaporization: 56.84 kJ/mol; (18)Vapour Pressure: 0.000219 mmHg at 25°C; (19)Exact Mass: 172.003955; (20)MonoIsotopic Mass: 172.003955; (21)Topological Polar Surface Area: 71.8; (22)Heavy Atom Count: 11.

People can use the following data to convert to the molecule structure. SMILES: Clc1cc([N+]([O-])=O)ccc1N; InChI: InChI=1/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2; InChIKey: LOCWBQIWHWIRGN-UHFFFAOYAC. 2-Chloro-4-nitroaniline has many suppliers, such as Hanghzou Fayer Chemicals Co., Ltd., Hebei Yongtai-Create Chemicals Co., Ltd. and Jiangsu International Economic-Technical Cooperation Corp..

The following is the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	1800mg/kg (1800mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC	National Technical Information Service. Vol. OTS0536149,
mouse	LD50	intravenous	56mg/kg (56mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 138, 1954.
mouse	LD50	oral	1250mg/kg (1250mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.
mouse	LDLo	intraperitoneal	500mg/kg (500mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 337, 1953.
rat	LD50	oral	6430mg/kg (6430mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.

Product Name

2-Chloro-4-nitroaniline

Synthetic route

2-Chloro-4-nitroaniline Consensus Reports

2-Chloro-4-nitroaniline Specification

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