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Home > Encyclopedia > 2,4,5-Trichloronitrobenzene

2,4,5-Trichloronitrobenzene

2,4,5-Trichloronitrobenzene structure

2,4,5-Trichloronitrobenzene 

structure
  • CAS No:

    89-69-0

  • Formula:

    C6H2Cl3NO2

  • Chemical Name:

    2,4,5-Trichloronitrobenzene

  • Synonyms:

    Benzene,1,2,4-trichloro-5-nitro-;1,2,4-Trichloro-5-nitrobenzene;2,4,5-Trichloro-1-nitrobenzene;2,4,5-Trichloronitrobenzene;3,4,6-Trichloronitrobenzene;1,4,5-Trichloro-2-nitrobenzene;NSC 50660;NSC 56980;NSC 60975

  • Categories:

    Agrochemicals  >  Pesticide Intermediates

Description

white to light yellow crystal powder


Prisms or needles in alcohol; yellow powder. (NTP, 1992)


Prisms or needles in alcohol; yellow powder. (NTP, 1992)

2,4,5-Trichloronitrobenzene Basic Attributes

226.44

226.44

201-931-7

0YFY8PZD2M

60975|56980|50660

2811

DTXSID5026203

29392900

Characteristics

45.8

3.49

Prisms or needles in alcohol; yellow powder. (NTP, 1992)

1.79 at 73° F (NTP, 1992)

57.5 °C

288 °C

170 °C

1.609

H2O: 27 mg/L (20 ºC)

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

LDLo orl-mus: 1070 mg/kg AECTCV 14,111,85

Insoluble in water.

Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

2,4,5-TRICHLORONITROBENZENE is incompatible with strong bases and strong oxidizing agents. (NTP, 1992).

Safety Information

III

6.1(b)

3077

50/53-20/21/22

61-60-36/37-28-25

DC2275000

N-Xn,N,Xn

Harmful

Stable under normal temperatures and pressures.

P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P363, P391, P405, P501

H301

This chemical is probably combustible. (NTP, 1992)

|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P363, P391, P405, and P501|Aggregated GHS information provided by 72 companies from 3 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)

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 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)

Toxicity

69.18

Drug Information

0.23 Days

SYMPTOMS: Exposure to this compound may cause eye and skin irritation. Absorption into the body leads to the formation of methemoglobin which in sufficient concentration causes cyanosis. ACUTE/CHRONIC HAZARDS: This compound is an irritant and may be harmful by inhalation, ingestion or skin absorption. When heated to decomposition it emits toxic fumes of carbon monoxide, carbon dioxide, oxides of nitrogen, chlorine and hydrogen chloride gas. (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)

2,4,5-Trichloronitrobenzene Use and Manufacturing

Methods of Manufacturing

The preparation method is to obtain 2, 4, 5-trichloronitrobenzene by nitration of 1, 2, 4-trichlorobenzene. Add 1, 2, 4-trichlorobenzene into the reactor, add the pre-prepared mixed acid dropwise at room temperature, and react at 50°C for 2h after the dropwise addition. After stopping the reaction, pour the reaction solution into a large amount of ice water and let it stand still After filtration, 2, 4, 5-trichloronitrobenzene is obtained.

Uses

Used in the synthesis of pesticides, dyes and pharmaceutical products

Benzene, 1,2,4-trichloro-5-nitro-: ACTIVE|TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.

Computed Properties

Molecular Weight:226.4
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Exact Mass:224.915111
Monoisotopic Mass:224.915111
Topological Polar Surface Area:45.8
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Nitric acid

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