메틸(2-)-3-3부텔니트릴

메틸(2-)-3-3부텔니트릴 · 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

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

식별자 및 물리적 특성

CAS No.	16529-56-9
분자식	C5H7N
평균 분자량	81.12 g/mol
단동위원소 질량	81.05784923 g/mol
SMILES	C=CC(C)C#N
InChIKey	WBAXCOMEMKANRN-UHFFFAOYSA-N
PubChem CID	27909
EC No.	240-596-1
DTXSID	DTXSID5025578
현지명	메틸(2-)-3-3부텔니트릴

화학 및 물리적 성질

XLogP	1.3
극성 표면적	23.8
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	6
형식 전하	0
복잡도	85
밀도	0.813 at 69.1 °F (NTP, 1992) - Less dense than waterwill float0,82 g/cm3
용해도	10 to 50 mg/mL at 72 °F (NTP, 1992)
인화점	less than 71 °F (NTP, 1992)15°C
증기압	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)
끓는 점	124 °C
굴절률	1.4070 to 1.4110
용해도	물에 약간 용해됨
물리적 상태	투명한 액체
비중	0.82
색상	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	2-Methyl-3-butenenitrile (16529-56-9)

안전 및 규제

GHS 분류	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.
규제 정보	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
운송 라벨(DOT)	Flammable Liquid Poison
화재 위험	This chemical is flammable. (NTP, 1992)
건강 유해성	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)
반응성 그룹	NitrilesHydrocarbons, Aliphatic Unsaturated

용도

일반 설명

Clear yellow liquid.