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p-Acetamidobenzoic acid

p-Acetamidobenzoic acid structure

p-Acetamidobenzoic acid 

structure
  • CAS No:

    556-08-1

  • Formula:

    C9H9NO3

  • Chemical Name:

    p-Acetamidobenzoic acid

  • Synonyms:

    Benzoic acid,4-(acetylamino)-;Benzoic acid,p-acetamido-;4-(Acetylamino)benzoic acid;p-(Acetoamino)benzoic acid;p-Acetamidobenzoic acid;4-Acetamidobenzoic acid;p-(Acetylamino)benzoic acid;N-Acetyl-p-aminobenzoic acid;4′-Carboxyacetanilide;p-Acetaminobenzoic acid;Acedoben;NSC 4002

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

white or off-white powder or crystals


P-acetamidobenzoic acid appears as needles or off-white powder. (NTP, 1992)


P-acetamidobenzoic acid appears as needles or off-white powder. (NTP, 1992)|4-acetamidobenzoic acid is a amidobenzoic acid that consists of benzoic acid bearing an acetamido substituent at position 4. It derives from a 4-aminobenzoic acid. It is a conjugate acid of a 4-acetamidobenzoate.

p-Acetamidobenzoic acid Basic Attributes

179.17

179.17

390602

209-114-7

04Z20NMK31

760374|4002

DTXSID5024392

29242995

Characteristics

66.4

1.3

Off-white to slightly beige Powder

1.41 g/cm3

260 °C (decomp)

439.6°C at 760 mmHg

219.7±24.0 °C

1.620

H2O: <0.1 g/100 mL at 21 ºC

Store below +30°C.

Water insoluble.

Acids, Carboxylic

Simultaneously an amide and a carboxylic acid.

Safety Information

NONH for all modes of transport

3

36/37/38

24/25

Stable. Combustible. Incompatible with strong oxidizing agents.

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 for this chemical 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 13 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fires involving this material can be controlled with 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 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% 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 60-70% 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 under ambient temperatures. (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

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)

4-acetamidobenzoic acid

p-Acetamidobenzoic acid Use and Manufacturing

Methods of Manufacturing

Method 1: Using p-aminobenzoic acid as raw material, obtained by acetylation. Dissolve p-aminobenzoic acid in ethyl acetate, add acetic anhydride with stirring, and raise the temperature to 70°C. Then it is cooled and filtered, washed twice with water, and then crystallized with ethanol to obtain the finished product. Method 2: Using p-toluidine as raw material, obtained by acetylation and oxidation. Acetic anhydride is still used as the raw material for acetylation, potassium permanganate for oxidation, and the oxidation temperature is 60-70℃.

Uses

Acedoben is the acetylated derivative of p-aminobenzoic acid (PABA). Acedoben is a metabolite of the anesthetic Benzocaine (B202970).

Benzoic acid, 4-(acetylamino)-: ACTIVE

Computed Properties

Molecular Weight:179.17
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:179.058243149
Monoisotopic Mass:179.058243149
Topological Polar Surface Area:66.4
Heavy Atom Count:13
Complexity:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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