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Home > Encyclopedia > 3-Nitrobenzoyl chloride

3-Nitrobenzoyl chloride

3-Nitrobenzoyl chloride structure

3-Nitrobenzoyl chloride 

structure
  • CAS No:

    121-90-4

  • Formula:

    C7H4ClNO3

  • Chemical Name:

    3-Nitrobenzoyl chloride

  • Synonyms:

    Benzoyl chloride,3-nitro-;Benzoyl chloride,m-nitro-;3-Nitrobenzoyl chloride;m-Nitrobenzoyl chloride;3-Nitrobenzoic acid chloride;NSC 5380

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

Description

BROWN LOW MELTING SOLIDYellow to brown liquid. Unstable at room temperatures; requires refrigeration when not in use.


M-nitrobenzoyl chloride is a yellow to brown liquid. Unstable at room temperatures; requires refrigeration when not in use.


M-nitrobenzoyl chloride is a yellow to brown liquid. Unstable at room temperatures; requires refrigeration when not in use.

3-Nitrobenzoyl chloride Basic Attributes

185.56

185.56

777186

204-505-9

5380

1760

DTXSID9025740

29163900

Characteristics

62.9

2.12

Brown Low Melting Solid

1.42

36 °C

276.5 °C

>230 °F

1.5810 (estimate)

Decomposes in water

6.43 (NTP, 1992) (Relative to Air)

Oral-rat LD50: 2460 mg/kg

Flammable; emit toxic hydrogen chloride gas in water

May be unstable to prolonged exposure to air. Decomposes in water and alcohol. (NTP, 1992).

Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Water-Reactive

M-NITROBENZOYL CHLORIDE is incompatible with bases (including amines), with strong oxidizing agents, and with alcohols. May react with reducing agents. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].

Safety Information

II

8

UN 2923 8/PG 3

3

5-21-34-37

26-36/37/39-45-7/9-38

DM6646000

C

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and alkalis

Corrosive

Explosive in heat

P280-P305 + P351 + P338-P310

H311-H314

This chemical is combustible. (NTP, 1992)

|Danger|H311 (91.11%): Toxic in contact with skin [Danger Acute toxicity, dermal]|P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P361, P363, P405, and P501|Aggregated GHS information provided by 45 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)

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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 keep this material in a tightly closed container under an inert atmosphere, and store it in a freezer. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992)

Toxicity

practically nontoxic

Drug Information

ACUTE/CHRONIC HAZARDS: This chemical is unstable at room temperature or when exposed to sources of ignition. When heated to decomposition it emits highly toxic fumes. It will react with water or steam to produce toxic and corrosive 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. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas. 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. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. 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. IMMEDIATELY transport the victim to a hospital. 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. Transport the victim IMMEDIATELY to a hospital. (NTP, 1992)

3-Nitrobenzoyl chloride Use and Manufacturing

Methods of Manufacturing

By the reaction between m-nitrobenzoic acid and phosgene. After mixing m-nitrobenzoic acid, benzene and a small amount of dimethylformamide, heat to 40-50°C to dissolve them all. Then, phosgene was passed until the acid chloride was completely completed, and then nitrogen was blown to drive out the remaining phosgene. The reaction product was distilled to recover the solvent benzene, and then distilled under reduced pressure twice to obtain m-nitrobenzoyl chloride. In addition, the m-benzoic acid and dichlorosulfoxide were heated to reflux for 3h, the excess dichlorosulfoxide was recovered and distilled under reduced pressure, the yield was 153-154°C (1.6kPa) fraction, and the yield was obtained with a yield of 90-98%. Nitrobenzoyl chloride.

Uses

Manufacture of dyes for fabrics and color photography, intermediate in preparation of pharmaceuticals.

Benzoyl chloride, 3-nitro-: ACTIVE

Computed Properties

Molecular Weight:185.56
XLogP3:2.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:184.9879707
Monoisotopic Mass:184.9879707
Topological Polar Surface Area:62.9
Heavy Atom Count:12
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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    CAS No.: 121-90-4
    Grade: Pharmaceutical Grade
    Content: 99%
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