2-Methyl-3-butennitril

ai3-30534 · 3-cyanobut-1-ene · 3-CYANO-1-BUTENE · 2-methyl-3-butenenitril · Butenenitrile, 2-methyl- · 2-Methylbut-3-enenitrile · 2-Methyl-3-butenenitrile · 3-Butenenitrile, 2-methyl-

https://huagongshe.com/de/chemical/27909

Molekülstruktur von 2-Methyl-3-butennitril

Identifikatoren & physikalische Daten

CAS No.	16529-56-9
Summenformel	C5H7N
Durchschnittliche Molmasse	81,12 g/mol
Monoisotopische Masse	81,05784923 g/mol
SMILES	C=CC(C)C#N
InChIKey	WBAXCOMEMKANRN-UHFFFAOYSA-N
PubChem CID	27909
EC No.	240-596-1
DTXSID	DTXSID5025578
Lokaler Name	2-Methyl-3-butennitril

Chemische & physikalische Eigenschaften

XLogP	1,3
Polarare Oberfläche (TPSA)	23,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	6
Formalladung	0
Komplexität	85
Dichte	0.813 at 69.1 °F (NTP, 1992) - Less dense than waterwill float0,82 g/cm3
Löslichkeit	10 to 50 mg/mL at 72 °F (NTP, 1992)Slightly soluble in water
Flammpunkt	less than 71 °F (NTP, 1992)15°C
Dampfdruck	29.5 mmHg at 72 °F59.7 mmHg at 103.1 °F180.2 mmHg at 155.3 °F (NTP, 1992)
Physical Description	2-methyl-3-butenenitrile is a clear yellow liquid. (NTP, 1992)
Siedepunkt	124 °C
Brechungsindex	1.4070 to 1.4110
Aggregatzustand	clear liquid
Wichte	0.82
Farbe	Colorless to Light yellow to Light orange
InChI	InChI=1S/C5H7N/c1-3-5(2)4-6/h3,5H,1H2,2H3
InChIKey	WBAXCOMEMKANRN-UHFFFAOYSA-N
SMILES	C(#N)C(C)C=C
EPA chemische Informationen	2-Methyl-3-butenenitrile (16529-56-9)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH225 (95.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]H301 (11.4%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (11.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]H332 (88.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P321, P330, P361+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 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.
Regulatorische Informationen	3-Butenenitrile, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Butenenitrile, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 18-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/1977
DOT-Kennzeichnung	Flammable Liquid Poison
Brandgefahren	This chemical is flammable. (NTP, 1992)
Gesundheitsgefahren	Excerpt from ERG Guide 131 [Flammable Liquids - 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)