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| CAS No.: | 2516-95-2 |
|---|---|
| Name: | 5-Chloro-2-nitrobenzoic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4ClNO4 |
| Molecular Weight: | 201.566 |
| 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; |
| EINECS: | 219-738-1 |
| Density: | 1.602 g/cm3 |
| Melting Point: | 137-139 °C(lit.) |
| Boiling Point: | 362 °C at 760 mmHg |
| Flash Point: | 172.8 °C |
| Solubility: | slightly soluble in water |
| Appearance: | Yellow to greenish crystalline powder |
| Hazard Symbols: |
 Xn, N, Xi
|
| Risk Codes: | 36/37/38-50/53-41-37/38-22 |
| Safety: | 22-24/25-61-60-36/37/39-26-36 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 83.12000 |
| LogP: | 2.46960 |
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5-chloro-2-nitrobenzyl alcohol
- 2516-95-2
5-chloro-2-nitrobenzoic acid
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With potassium permanganate |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With potassium permanganate; potassium carbonate |
- 62567-90-2
diethyl 2-(5-chloro-2-nitrophenyl)propanedioate
- 2516-95-2
5-chloro-2-nitrobenzoic acid
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 |
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Chemistry
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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/cm3
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
Safety Profile
Hazard Codes: 
Xi,
N,
Xn
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
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.