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2-Nitrobenzoic acid

2-Nitrobenzoic acid structure

2-Nitrobenzoic acid 

structure
  • CAS No:

    552-16-9

  • Formula:

    C7H5NO4

  • Chemical Name:

    2-Nitrobenzoic acid

  • Synonyms:

    Benzoic acid,2-nitro-;Benzoic acid,o-nitro-;2-Nitrobenzoic acid;o-Nitrobenzoic acid;o-Carboxynitrobenzene;NSC 9576

  • Categories:

    Pharmaceutical Intermediates  >  Cardiovascular Agents

Description

off-white powder


Yellowish white crystals with an intensely sweet taste. (NTP, 1992)


Yellowish white crystals with an intensely sweet taste. (NTP, 1992)|2-nitrobenzoic acid is a nitrobenzoic acid carrying the nitro substituent at position 2. It derives from a benzoic acid. It is a conjugate acid of a 2-nitrobenzoate.

2-Nitrobenzoic acid Basic Attributes

167.12

167.12

1910632

209-004-9

S6S4653K7Z

9576

DTXSID5025738

29163900

Characteristics

83.1

1.5

Off-white Fine Powder

1.575 at 68° F (NTP, 1992)

147.5 °C

157.5±11.6 °C

1.615

H2O: 6.8 g/L

Store at RT.

Insoluble in water.

Acids, Carboxylic

O-NITROBENZOIC ACID is incompatible with strong oxidizing agents. Also incompatible with strong bases. May react with cyanides (NTP, 1992).

Safety Information

NONH for all modes of transport

3

36/37/38-68-22

26-36/37/39

DH5050000

Xi,Xn

Stable. Incompatible with strong oxidizing agents, strong bases.

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

Flash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992)

|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 68 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Drug Information

ACUTE/CHRONIC HAZARDS: When this compound is heated to decomposition it emits very toxic fumes. (NTP, 1992)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

2-Nitrobenzoic acid Use and Manufacturing

Methods of Manufacturing

Obtained by oxidation of o-nitrotoluene. After mixing o-nitrotoluene, water and potassium hydroxide, heat to boiling, then add potassium permanganate in batches. After the oxidation reaction is completed, it is filtered to separate the oil, the filtrate is acidified, filtered and washed with water, and the crude product is recrystallized with water to obtain a finished product.

Uses

NH2-protecting reagent.

Benzoic acid, 2-nitro-: ACTIVE

Computed Properties

Molecular Weight:167.12
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:167.02185764
Monoisotopic Mass:167.02185764
Topological Polar Surface Area:83.1
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

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