2-Methyl-2-butenenitrile

HCID 29935CAS 4403-61-6

Basic information

Standard SMILES
CC=C(C)C#N
InChIKey
IHXNSHZBFXGOJM-UHFFFAOYSA-N
Molecular formula
C5H7N
Average molar mass
81.12 g/mol
Monoisotopic mass
81.05784923

Names & identifiers

Preferred name
2-Methyl-2-butenenitrile
IUPAC
2-methylbut-2-enenitrile
English name
2-Methyl-2-butenenitrile
Molecular formula
C5H7N
Molecular weight
81.12

Names & synonyms

2-METHYL-2-BUTENENITRILE4403-61-6DTXSID0025577DTXCID00809893RefChem:8184512-Butenenitrile, 2-methyl-2-methylbut-2-enenitrilealpha-MethylcrotononitrileMFCD000371692-Methylcrotononitrile1-Methyl-1-propenyl Cyanidealpha,beta-Dimethylacrylonitrile
Show more names
2-CYANO-2-BUTENE2-methyl-crotononitril2-methyl-2-butenenitril2,3-DIMETHYLACRYLONITRILE
CCRIS 6055EINECS 224-544-52-methylbutanennitrilemethyl-2-butenenitrileCrotononitrile, 2-methyl-UNII-59AA3QD9KX2-methyl-2-butene-nitrile59AA3QD9KX

Database identifiers

CAS
4403-61-6
PubChem CID
29935
DTXSID
DTXSID0025577
EC Number
224-544-5

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
6

Experimental & physicochemical properties

Density0.817 at 65.3 °F (NTP, 1992) - Less dense than water; will float
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Flash Pointless than 67 °F (NTP, 1992)
Vapor Pressure74.3 mmHg at 75 °F ; 148.2 mmHg at 111 °F; 293.8 mmHg at 149 °F (NTP, 1992)
Physical Description2-methyl-2-butenenitrile is a clear amber liquid. (NTP, 1992)

Physicochemical properties

Boiling point
115 · 115-120 °C(lit.)
Density
0.81 g/mL · 0.810 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.417
Flash point
-17 °C · -17 °C
Water Solubility
Slightly soluble in water
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P316, P303+P361+P353, P304+P340, P317, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: 2-Butenenitrile, 2-methyl-
DOT LabelFlammable Liquid Poison
Fire HazardsThis chemical is flammable. (NTP, 1992)
Health Hazards · 1 item

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Methyl chloroacetate (UN2295) is an eye irritant/lachrymator (causes flow of tears). Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)

Reactive GroupNitriles;Hydrocarbons, Aliphatic Unsaturated
Reactivity AlertsHighly Flammable

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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)

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed 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 keep this material in a tightly-closed container under an inert atmosphere, and store it in an explosion-proof freezer. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

Isolation and Evacuation · 1 item

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank 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, 2024)

Personal Protective Equipment (PPE) · 1 item

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)

Regulatory information

Regulatory InformationChemical: 2-Butenenitrile, 2-methyl-

Safety data

wgk
3
rtecs
EM8312500
ridadr
UN 3273 3/PG 2
hs_code
2926.90.5050
risk_code
11-20/22
Signal word
Danger

Chemistry & industry

Applications

General DescriptionClear amber liquid.

Upstream & downstream products

Suppliers50 total

山东玖玥生物科技有限公司15553333686
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Related reactions

4 records

Linked notes

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