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5-Chloro-2-nitrobenzoic acid

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Name

5-Chloro-2-nitrobenzoic acid

EINECS 219-738-1
CAS No. 2516-95-2 Density 1.602 g/cm3
PSA 83.12000 LogP 2.46960
Solubility slightly soluble in water Melting Point 137-139 °C(lit.)
Formula C7H4ClNO4 Boiling Point 362 °C at 760 mmHg
Molecular Weight 201.566 Flash Point 172.8 °C
Transport Information UN 3077 9/PG 3 Appearance Yellow to greenish crystalline powder
Safety 22-24/25-61-60-36/37/39-26-36 Risk Codes 36/37/38-50/53-41-37/38-22
Molecular Structure Molecular Structure of 2516-95-2 (5-Chloro-2-nitrobenzoic acid) Hazard Symbols HarmfulXn,DangerousN,IrritantXi
Synonyms

5-chloro-2-nitro-benzoic acid;2-Nitro-5-Chlorobenzoic acid;Benzoic acid, 5-chloro-2-nitro-;5-chloro-2-nitro-benzoate;5-Chloro-2-nitrobenzoic acid 98%;5-Chloro-2-Nitro Benzoic Acid;

Article Data 14

5-Chloro-2-nitrobenzoic acid Synthetic route

73033-58-6

5-chloro-2-nitrobenzyl alcohol

2516-95-2

5-chloro-2-nitrobenzoic acid

Conditions
ConditionsYield
With Iron(III) nitrate nonahydrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium chloride; oxygen In 1,2-dichloro-ethane at 25℃; for 48h; Schlenk technique;87%
73033-58-6

5-chloro-2-nitrobenzyl alcohol

A

6628-86-0

5-chloro-2-nitrobenzaldehyde

B

2516-95-2

5-chloro-2-nitrobenzoic acid

Conditions
ConditionsYield
With Iron(III) nitrate nonahydrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium chloride; oxygen In 1,2-dichloro-ethane at 25℃; for 48h; Schlenk technique;A 22%
B 60%
6628-86-0

5-chloro-2-nitrobenzaldehyde

2516-95-2

5-chloro-2-nitrobenzoic acid

Conditions
ConditionsYield
With potassium permanganate
5367-28-2

5-chloro-2-nitrotoluene

2516-95-2

5-chloro-2-nitrobenzoic acid

Conditions
ConditionsYield
With potassium permanganate
With potassium permanganate; tetrabutylammomium bromide
535-80-8

3-chlorobenzoate

A

2516-95-2

5-chloro-2-nitrobenzoic acid

B

4771-47-5

3-chloro-2-nitro-benzoic acid

Conditions
ConditionsYield
With nitric acid
With nitric acid das Gemisch wird in Wasser von 50grad gegossen;
beim Nitrieren;
62567-91-3

ethyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate

2516-95-2

5-chloro-2-nitrobenzoic acid

Conditions
ConditionsYield
With potassium permanganate; potassium carbonate
62567-90-2

diethyl 2-(5-chloro-2-nitrophenyl)propanedioate

2516-95-2

5-chloro-2-nitrobenzoic acid

Conditions
ConditionsYield
With potassium permanganate; potassium carbonate
7697-37-2

nitric acid

535-80-8

3-chlorobenzoate

A

2516-95-2

5-chloro-2-nitrobenzoic acid

B

4771-47-5

3-chloro-2-nitro-benzoic acid

5367-28-2

5-chloro-2-nitrotoluene

neutral potassium permanganate solution

neutral potassium permanganate solution

2516-95-2

5-chloro-2-nitrobenzoic acid

121-14-2

2,4-dinitrotoluene

2516-95-2

5-chloro-2-nitrobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: acetic acid; sodium acetate / bei der elektrolytischen Reduktion
2: hydrochloric acid
3: Verkochen des Diazoniumsulfatsmit Alkohol.Diazotization
4: potassium permanganate
View Scheme

5-Chloro-2-nitrobenzoic acid Chemical Properties

 
IUPAC Name: 5-Chloro-2-nitrobenzoic acid
Molecular Formula: C7H4ClNO4
Molecular Weight: 201.57 g/mol
SMILES: c1(c(cc(Cl)cc1)C(O)=O)[N+](=O)[O-]
InChI: InChI=1/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
EINECS: 219-738-1
Product Categories: FINE Chemical & INTERMEDIATES; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzene series; Organic acids; C7; Carbonyl Compounds; Carboxylic Acids
Index of Refraction: 1.627 
Molar Refractivity: 44.62 cm3 
Molar Volume: 125.7 cm3
Surface Tension: 67.7 dyne/cm 
Density: 1.602 g/cm
Flash Point: 172.8 °C 
Enthalpy of Vaporization: 64.14 kJ/mol 
Boiling Point: 362 °C at 760 mmHg 
Melting Point: 137-139 °C(lit.)
Water Solubility: Slightly Soluble
Vapour Pressure of 5-Chloro-2-nitrobenzoic acid (CAS NO.2516-95-2): 7.1E-06 mmHg at 25 °C

5-Chloro-2-nitrobenzoic acid Safety Profile

Hazard Codes: IrritantXi,DangerousN,HarmfulXn
Risk Statements: 36/37/38-50/53-41-37/38-22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R41:Risk of serious damage to the eyes. 
R37/38:Irritating to respiratory system and skin. 
R22:Harmful if swallowed.
Safety Statements: 22-24/25-61-60-36/37/39-26-36 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S60:This material and its container must be disposed of as hazardous waste. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
Hazard Note of 5-Chloro-2-nitrobenzoic acid (CAS NO.2516-95-2): Irritant

5-Chloro-2-nitrobenzoic acid Specification

 5-Chloro-2-nitrobenzoic acid (CAS NO.2516-95-2), its Synonyms are Benzoic acid, 5-chloro-2-nitro- ; 5-Chloro-2-nitro-benzoicaci ; 2-Nitro-5-chlorobenzoic acid . It is light yellow to yellowish-green crystalline powder.

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