3-Chloro-2-nitrobenzoic acid
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3-Chloro-2-nitrobenzoic acid
structure -
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CAS No:
4771-47-5
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Formula:
C7H4ClNO4
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Chemical Name:
3-Chloro-2-nitrobenzoic acid
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Synonyms:
Benzoic acid,3-chloro-2-nitro-;3-Chloro-2-nitrobenzoic acid;2-Nitro-3-chlorobenzoic acid
- Categories:
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CAS No:
Characteristics
83.1
1.9
Off-white crystalline powder.
1.6±0.1 g/cm3
238 °C
365.6°C at 760 mmHg
174.9±23.7 °C
1.628
0.47g/L(25 ºC)
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S37/39-S24/25
Xi:Irritant;
Stable under normal temperatures and pressures.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Chloro-2-nitrobenzoic acid Use and Manufacturing
To 500 ml with condensation return to of the three-port bottle 216g glacial acetic acid, the opening of the the stirring, then adding 57g the sodium borate and 5g embodiment 1 preparation of catalyst titanate, nitrogen gas replacement system three times the internal air, the temperature is increased to 85 °C, dropping under stirring condition 10g2 - amino -3 - chlorobenzoic acid and 30g the mixed solution of glacial acetic acid, then 85 °C -90 °C stirring reaction 1h. The detection reaction progress by TLC, the reaction is completed, the system to room temperature, filtered, and 20g methanol washing the resulting solid, and 40 °C -50 °C vacuum drying 3 hours to obtain 11.3g2 - nitro -3 - chlorobenzoic acid, purity 98.07percent, yield 94.3percent.Preparation of the 2 - nitro -3 -chlorbenzoic acid added to the crude product 40g in anhydrous ethanol, heated to 75 °C -80 °C reflux 0.5h, then system lower the temperature to 0 °C -5 °C, preserving heat and stirring 0.5h, filtering, solid in 40 °C -50 °C vacuum drying 3h obtain 10g2 - nitro -3 - chlorobenzoic acid pure product, purity 99.7percent, yield of 84.9percent.
Computed Properties
Molecular Weight:201.56
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:200.9828853
Monoisotopic Mass:200.9828853
Topological Polar Surface Area:83.1
Heavy Atom Count:13
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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