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Cas Database

Name	4-Chloro-3-nitroanisole	EINECS	233-674-1
CAS No.	10298-80-3	Density	1.366
PSA	55.05000	LogP	2.78000
Solubility	N/A	Melting Point	41-45 ºC
Formula	C7H6 Cl N O3	Boiling Point	293 ºC
Molecular Weight	187.583	Flash Point	131 ºC
Transport Information	N/A	Appearance	Light Cream Dry Crystalline Powder
Safety	S26;S36	Risk Codes	R36/37/38
Molecular Structure		Hazard Symbols
Synonyms	Anisole,4-chloro-3-nitro- (6CI,7CI,8CI); 1-Chloro-4-methoxy-2-nitrobenzene;2-Nitro-4-methoxychlorobenzene; 4-Chloro-3-nitroanisole; NSC 47339	Article Data	19

4-Chloro-3-nitroanisole Synthetic route

: 96-96-8
4-methoxy-2-nitroaniline

: 10298-80-3
2-chloro-5-methoxynitrobenzene

Conditions

Conditions	Yield
Stage #1: 4-methoxy-2-nitroaniline With hydrogenchloride; sodium nitrite In water; acetonitrile at 20℃; for 0.25h; Stage #2: With copper(l) chloride In water; acetonitrile at 60℃; for 3h;	99%
With hydrogenchloride; copper(l) chloride; cobalt(II) chloride; palladium dichloride; sodium nitrite In water at 0 - 5℃; Catalytic behavior; Reagent/catalyst; Concentration;	96%
Stage #1: 4-methoxy-2-nitroaniline With potassium hydrogensulfate; phosphoric acid In water at 8 - 9℃; for 0.833333h; Stage #2: With potassium chloride; tin(II) bromide In water at 19 - 70℃; Temperature;	93%

: 610-78-6
3-nitro-4-chlorophenol

: 616-38-6
carbonic acid dimethyl ester

: 10298-80-3
2-chloro-5-methoxynitrobenzene

Conditions

Conditions	Yield
With magnesium oxide In N,N-dimethyl-formamide at 170℃; for 0.5h; Microwave irradiation; Green chemistry;	84%

: 33844-21-2
2-nitro-4-methoxybenzoic acid

: 10298-80-3
2-chloro-5-methoxynitrobenzene

Conditions

Conditions	Yield
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper (I) acetate; silver sulfate; sodium chloride In dimethyl sulfoxide at 160℃; for 24h; Schlenk technique;	53%
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper diacetate; silver sulfate; sodium chloride In dimethyl sulfoxide at 160℃; under 760.051 Torr; for 20h; Schlenk technique;	53%
With copper(l) iodide; oxygen; copper(l) chloride In dimethyl sulfoxide at 160℃; under 760.051 Torr; for 30h; Schlenk technique; Sealed tube;	46%

: 30930-62-2
3-nitro-4-chlorobenzenediazonium cation

: 124-41-4
sodium methylate

A: 91-23-6
2-Nitroanisole

B: 88-73-3
2-Chloronitrobenzene

C: 10298-80-3
2-chloro-5-methoxynitrobenzene

Conditions

Conditions	Yield
for 16h; Mechanism; Ambient temperature; also reaction with sodium deuteriomethoxide;

: 562-54-9
potassium methyl sulfate

potassium-<4-chloro-3-nitro-phenolate>: potassium-<4-chloro-3-nitro-phenolate>

: 10298-80-3
2-chloro-5-methoxynitrobenzene

Conditions

Conditions	Yield
With glycerol at 170 - 190℃;

: 555-03-3
3-nitroanisole

: 10298-80-3
2-chloro-5-methoxynitrobenzene

Conditions

Conditions	Yield
With Oxone; ammonium chloride In acetonitrile at 20℃; for 48h;	31 % Chromat.

: 33844-21-2
2-nitro-4-methoxybenzoic acid

A: 5344-78-5
4-bromo-3-nitroanizole

B: 10298-80-3
2-chloro-5-methoxynitrobenzene

Conditions

Conditions	Yield
With Bromotrichloromethane; trichloroisocyanuric acid; bromine at 10 - 120℃; for 18h; Photolysis;

: 10298-80-3
2-chloro-5-methoxynitrobenzene

: 36210-53-4
2-[(2-amino-4-methoxyphenyl)disulfanyl]-4-methoxyaniline

Conditions

Conditions	Yield
With sodiumsulfide nonahydrate In water at 100℃;	100%

: 75-15-0
carbon disulfide

: 10298-80-3
2-chloro-5-methoxynitrobenzene

: 55690-60-3
5-methoxybenzo[d]thiazole-2-thiol

Conditions

Conditions	Yield
With sodium sulfide at 80℃; for 10h; Temperature; Microwave irradiation;	99%
Stage #1: carbon disulfide; 2-chloro-5-methoxynitrobenzene for 5h; Reflux; Stage #2: With hydrogenchloride In water	93.1%

: 10298-80-3
2-chloro-5-methoxynitrobenzene

: 14482-32-7
2-amino-4-methoxybenzenethiol

Conditions

Conditions	Yield
Stage #1: 2-chloro-5-methoxynitrobenzene With sodium sulfide In water for 20h; Heating / reflux; Stage #2: With hydrogenchloride In water at 20℃; pH=7;	98.9%
(i) Na2S, sulfur, (ii) Sn, aq. HCl; Multistep reaction;
Multi-step reaction with 2 steps 1: ethanol; Na2S2 2: tin; aq.-ethanolic HCl View Scheme
With sodium sulfide; water for 24h; Reflux;

4-Chloro-3-nitroanisole Chemical Properties

IUPAC Name: 1-chloro-4-methoxy-2-nitrobenzene
The MF of 4-Chloro-3-nitroanisole(10298-80-3): C₇H₆ClNO₃
The MW of 4-Chloro-3-nitroanisole(10298-80-3): 187.58
EINECS: 233-674-1
mp: 41-43 °C(lit.)
bp: 293°C
density: 1.366
Fp: >230 °F
Appearance: Ochre powder.
Solubility in water: Insoluble
Incompatibilities: Oxidizing agents.
Stability: Stable under normal temperatures and pressures.
Decomposition: Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Categories: FINE Chemical & INTERMEDIATES;Miscellaneous;Anisole;Anisoles, Alkyloxy Compounds & Phenylacetates;Chlorine Compounds;Nitro Compounds
Synonyms: 2-Nitro-4-methoxychlorobenzene;2-CHLORO-5-METHOXYNITROBENZENE;1-CHLORO-4-METHOXY-2-NITROBENZENE;4-CHLORO-3-NITROANISOLE;4-chloro-3-nitro-anisol;4-Chloro-3-Nitroanisole98%(Gc);Benzene, 1-chloro-4-methoxy-2-nitro-;4-methoxy-2-nitrochlorobenzene
The Structure of 4-Chloro-3-nitroanisole(10298-80-3):

4-Chloro-3-nitroanisole Toxicity Data With Reference

1. mouse LD50 intravenous 180mg/kg (180mg/kg)
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04759.

4-Chloro-3-nitroanisole Safety Profile

Hazard Codes:

Xi
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3
RTECS: BZ8580000
Hazard Note: Irritant
HS Code: 29093090

4-Chloro-3-nitroanisole Specification

1. First Aid Measures
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
2. Handling and Storage
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.

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