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2516-96-3

Basic Information
CAS No.: 2516-96-3
Name: 2-Chloro-5-nitrobenzoic acid
Article Data: 41
Molecular Structure:
Molecular Structure of 2516-96-3 (2-Chloro-5-nitrobenzoic acid)
Formula: C7H4ClNO4
Molecular Weight: 201.566
Synonyms: 6-Chloro-3-nitrobenzoic acid;benzoic acid, 2-chloro-5-nitro-;2-chloro-5-nitro-benzoate;
EINECS: 219-739-7
Density: 1.602 g/cm3
Melting Point: 165-168 °C(lit.)
Boiling Point: 356.5 °C at 760 mmHg
Flash Point: 169.4 °C
Appearance: light yellow to light yellow-green crystalline
Hazard Symbols: HarmfulXn, DangerousN, IrritantXi
Risk Codes: 22-37/38-41-50-36/37/38
Safety: 26-39-61-24/25-36
Transport Information: UN 3077 9/PG 3
PSA: 83.12000
LogP: 2.46960
Synthetic route
118-91-2

ortho-chlorobenzoic acid

2516-96-3

2-chloro-5-nitrobenzoic acid

Conditions
ConditionsYield
With sulfuric acid; nitric acid at -5 - 20℃; for 2h; Large scale;95.4%
With sulfuric acid; nitric acid at -5 - 5℃; for 2h;95.8%
With sulfuric acid; potassium nitrate at 25℃; for 3h;90.2%
831-50-5

1-chloro-4-nitro-2-(trichloromethyl)benzene

2516-96-3

2-chloro-5-nitrobenzoic acid

Conditions
ConditionsYield
With sulfuric acid In water at 65 - 95℃; for 3h; Temperature;95%
16588-15-1

2-chloro-5-nitro-benzamide

2516-96-3

2-chloro-5-nitrobenzoic acid

Conditions
ConditionsYield
With hydrogenchloride
With sulfuric acid; sodium nitrite
13290-74-9

1-chloro-2-methyl-4-nitrobenzene

2516-96-3

2-chloro-5-nitrobenzoic acid

Conditions
ConditionsYield
With nitric acid at 140 - 150℃;
96-97-9

5-nitrosalicylic acid

2516-96-3

2-chloro-5-nitrobenzoic acid

Conditions
ConditionsYield
With phosphorus pentachloride
6361-21-3

2-chloro-5-nitrobenzaldehyde

2516-96-3

2-chloro-5-nitrobenzoic acid

Conditions
ConditionsYield
With permanganate(VII) ion
118-91-2

ortho-chlorobenzoic acid

A

2516-96-3

2-chloro-5-nitrobenzoic acid

B

3970-35-2

2-chloro-3-nitrobezoic acid

Conditions
ConditionsYield
With nitric acid
With sulfuric acid; nitric acid
54253-05-3

2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide

2516-96-3

2-chloro-5-nitrobenzoic acid

Conditions
ConditionsYield
With sodium hydroxide
7647-01-0

hydrogenchloride

60041-99-8

6-nitro-3-phenylbenzo[d][1,2,3]triazin-4(3H)-one

A

2516-96-3

2-chloro-5-nitrobenzoic acid

B

62-53-3

aniline

Conditions
ConditionsYield
at 120 - 130℃;
7647-01-0

hydrogenchloride

91532-29-5

6-nitrobenzo[d][1,2,3]triazin-4(3H)-one

A

2516-96-3

2-chloro-5-nitrobenzoic acid

B

7664-41-7

ammonia

C

nitrogen

nitrogen

Conditions
ConditionsYield
at 120 - 130℃;
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    2-Chloro-5-nitrobenzoic acid Molecular formula: C7H4ClNO4 CAS NO.: 2516-96-3 Appearance: Light yellow crystalline powder Content: 99%-101% Appearance:Light yellow crystalline powder Storage:Store

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Specification

The 2-Chloro-5-Nitrobenzoic Acid , with the register number 2516-96-3, is also known to us as rarechem al bo 0234;2-chloro-5-nitrobenzoic acid;5-nitro-2-chlorobenzoic acid;labotest-bb lt00847209;2-chloro-5-nitro-benzoicaci;6-chloro-3-nitrobenzoic acid;benzoic acid, 2-chloro-5-nitro-;2-chloro-5-nirtrobenzoic acid .

The physical properties of this chemical are as the following: (1)#H bond acceptors:  5  ; (2)#H bond donors:  1  ; (3)#Freely Rotating Bonds:  2  ; (4)Polar Surface Area:  72.12  ; (5)Index of Refraction:  1.627  ; (6)Molar Refractivity:  44.62 cm ; (7)Molar Volume:  125.7 cm ; (8)Polarizability:  17.69 ×10-24 cm3  ; (9)Surface Tension:  67.7 dyne/cm  ; (10)Density:  1.602 g/cm3  ; (11)Flash Point:  169.4 °C  ; (12)Enthalpy of Vaporization:  63.5 kJ/mol  ; (13)Boiling Point:  356.5 °C at 760 mmHg  ; (14)Vapour Pressure:  1.06E-05 mmHg at 25°C .

Being a kind of harmful chemicals, it may cause damage to health. Besides, it is dangerous for the environment, for it may present an immediate or delayed danger to one or more components of the environment. Then it is also very irritant to eyes, respiratory system and skin, as it may cause inflammation to the skin or other mucous membranes. So while dealing with it, you should be very cautious. Wear suitable protective clothing and avoid contact with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice and at the same itme, avoid releasing to the environment and refer to special instructions/safety data sheet.

As for its usage, it is usually used in the intermediate for the pesticide,phamaceutic and organic pigment. Its product categories are including acids and derivatives;aromatic carboxylic acids, amides, anilides, anhydrides & salts;organic acids;miscellaneous;c7;carbonyl compounds;carboxylic acids. And you could obtain this kind of chemical through this way: nitration of the o-chlorobenzoic acid .

In addition, you could get the molecular structure by converting the following data information:
SMILES:O=C(O)c1cc(ccc1Cl)[N+]([O-])=O
InChI:InChI=1/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey:QUEKGYQTRJVEQC-UHFFFAOYAV