(2E)-2-Butenedinitrile
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(2E)-2-Butenedinitrile
structure -
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CAS No:
764-42-1
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Formula:
C4H2N2
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Chemical Name:
(2E)-2-Butenedinitrile
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Synonyms:
2-Butenedinitrile,(2E)-;Fumaronitrile;2-Butenedinitrile,(E)-;(2E)-2-Butenedinitrile;trans-Dicyanoethylene;Fumaric nitrile;trans-1,2-Dicyanoethylene;Fumarodinitrile;trans-1,2-Dicyanoethene;(E)-1,2-Dicyanoethylene;trans-Butenedinitrile;trans-Dicyanobutene;Fumaric dinitrile;NSC 17555;(E)-2-Butenedinitrile
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CAS No:
Description
brown crystalline solid
Fumaronitrile appears as needles or brown crystalline solid. (NTP, 1992)
Fumaronitrile appears as needles or brown crystalline solid. (NTP, 1992)
Characteristics
47.6
-0.19
Fumaronitrile appears as needles or brown crystalline solid. (NTP, 1992)
0.9416 g/cm3 @ Temp: 110.8 °C
96.8 °C
186 °C
82.6±13.7 °C
1.458
less than 1 mg/mL at 70° F (NTP, 1992)
Insoluble in water.
Nitriles
FUMARONITRILE can react with strong acids, strong bases, strong oxidizing agents and strong reducing agents. (NTP, 1992)
Safety Information
II
6.1
UN 3439 6.1/PG 3
3
R23/24/25
S36/37/39-S45
LT2300000
T:Toxic;
Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.
P261-P301 + P310-P311
H301-H301 + H331-H331
Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P301+P310, P304+P340, P311, P321, P330, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 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 151 [Substances - Toxic (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. (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: 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 compound include skin, eye, mucous membrane and upper respiratory tract irritation. ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of carbon monoxide, carbon dioxide and NOx. It may also emit fumes of cyanide ion. It is a skin, eye, mucous membrane and upper respiratory tract irritant. (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. 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: 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. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. 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. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
fumarodinitrile
Computed Properties
Molecular Weight:78.07
XLogP3:-0.2
Hydrogen Bond Acceptor Count:2
Exact Mass:78.021798072
Monoisotopic Mass:78.021798072
Topological Polar Surface Area:47.6
Heavy Atom Count:6
Complexity:119
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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