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Home > Encyclopedia > p-Phenylene diisocyanate

p-Phenylene diisocyanate

p-Phenylene diisocyanate structure

p-Phenylene diisocyanate 

structure
  • CAS No:

    104-49-4

  • Formula:

    C8H4N2O2

  • Chemical Name:

    p-Phenylene diisocyanate

  • Synonyms:

    Benzene,1,4-diisocyanato-;Isocyanic acid,p-phenylene ester;Hydroquinone,diisocyanate;1,4-Diisocyanatobenzene;p-Phenylene diisocyanate;p-Phenylene isocyanate;1,4-Phenylene diisocyanate;1,4-Phenylenebis(isocyanate);NSC 94776;PPDI;51807-23-9

  • Categories:

    Organic Chemistry  >  Carboxylic Acids and Derivatives

Description

PHYSICAL DESCRIPTION: White crystals or pale yellow chunky solid. Pungent odor. (NTP, 1992)


1,4-phenylene diisocyanate appears as white crystals or pale yellow chunky solid. Pungent odor. (NTP, 1992)|Liquid


1,4-phenylene diisocyanate appears as white crystals or pale yellow chunky solid. Pungent odor. (NTP, 1992)

p-Phenylene diisocyanate Basic Attributes

160.13

160.13

203-207-6

OKE64XZR2L

94776

2811

DTXSID3025883

2929109000

Characteristics

58.9

2.85

1,4-phenylene diisocyanate appears as white crystals or pale yellow chunky solid. Pungent odor. (NTP, 1992)

1.17 at 212° F (NTP, 1992)

93-94 °C (sublm)

124-125 °C @ Press: 10 Torr

>230 °F

1.567

THF: soluble

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

<0.01 mm Hg ( 20 °C)

Reacts slowly with water to form CO2

Isocyanates and Isothiocyanates

Water-Reactive

1,4-PHENYLENE DIISOCYANATE is sensitive to moisture. This chemical is incompatible with water, strong acids, strong alkalis, strong oxidizers, alcohol, amines and other hydrogen compounds. (NTP, 1992)

Safety Information

6.1

UN 2811 6.1/PG 3

3

20/21/22-36/37/38-42-34-41-38

22-26-36/37-45-36/37/39

CZ6150000

Xn,C

Stable. Combustible. Incompatible with strong oxidising agents, strong alkalies, strong acids, alcohols, amines. Moisture sensitive.

P261-P280-P305 + P351 + P338-P342 + P311

H302 + H312 + H332-H315-H318-H334

This chemical is combustible. (NTP, 1992)

|Danger|H302 (32.23%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P273, P280, P284, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P314, P320, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 121 companies from 7 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. A water spray may also be used. (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 you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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, and keep away from oxidizing materials. (NTP, 1992)

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

Drug Information

SYMPTOMS: Symptoms of exposure to this chemical include irritation of the skin and eyes. It also causes sensitization of the skin and lungs. ACUTE/CHRONIC HAZARDS: This compound is very toxic by ingestion and inhalation. When heated to decomposition it emits toxic fumes of nitrogen oxides, carbon monoxide and hydrogen cyanide 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. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. 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)

p-Phenylene diisocyanate Use and Manufacturing

Uses

Intermediate


Intermediates

Plastic material and resin manufacturing|Benzene, 1,4-diisocyanato-: ACTIVE

Computed Properties

Molecular Weight:160.13
XLogP3:3.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:160.027277375
Monoisotopic Mass:160.027277375
Topological Polar Surface Area:58.9
Heavy Atom Count:12
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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