메틸(2-)-3-3부텔니트릴

2-Methyl-3-butenenitrile

HCID 27909CAS 16529-56-9

기본 정보

표준 SMILES
C=CC(C)C#N
InChIKey
WBAXCOMEMKANRN-UHFFFAOYSA-N
분자식
C5H7N
평균 분자량
81.12 g/mol
단동위원소 질량
81.05784923

이름 및 식별자

우선 이름
2-Methyl-3-butenenitrile
IUPAC
2-methylbut-3-enenitrile
현지명
메틸(2-)-3-3부텔니트릴
영어명
2-Methyl-3-butenenitrile
분자식
C5H7N
분자량
81.12

이름 및 동의어

2-METHYL-3-BUTENENITRILE16529-56-93-Butenenitrile, 2-methyl-3-Cyanobut-1-eneCCRIS 6056DTXSID50255782-Methyl-3-butenonitrileEINECS 240-596-15UB332ATH2AI3-30534DTXCID805578EC 240-596-1
이름 더 보기
메틸(2-)-3-3부텔니트릴2-methyl-3-butenenitrilButenenitrile, 2-methyl-2-Methyl-3-butenenitrile>
RefChem:475363240-596-12-methylbut-3-enenitrile3-Cyano-1-butene1-Methyl-2-propenyl CyanideMFCD000426343-Butenonitrile, 2-methyl-2-methyl-3-butene-nitrile

데이터베이스 식별자

CAS
16529-56-9
PubChem CID
27909
DTXSID
DTXSID5025578
UNII
5UB332ATH2
EC Number
240-596-1
Nikkaji
J102.107I

물성

구조 계산 물성

XLogP
1.3
극성 표면적
23.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
6

실험 및 물리화학적 성질

Density0.813 at 69.1 °F (NTP, 1992) - Less dense than water; will float
Solubility10 to 50 mg/mL at 72 °F (NTP, 1992)
Flash Pointless than 71 °F (NTP, 1992)
Vapor Pressure29.5 mmHg at 72 °F ; 59.7 mmHg at 103.1 °F; 180.2 mmHg at 155.3 °F (NTP, 1992)
Physical Description2-methyl-3-butenenitrile is a clear yellow liquid. (NTP, 1992)

물리화학적 성질

끓는 점
124 °C · 124 °C
밀도
0 · 0,82 g/cm3
굴절률
1.407 to · 1.4070 to 1.4110
인화점
15 °C · 15°C
수용성
물에 약간 용해됨
물리적 상태
투명한 액체

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (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.

유해성 정보

Regulatory Information · 2건

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 LabelFlammable Liquid Poison
Fire HazardsThis chemical is flammable. (NTP, 1992)
Health Hazards · 1건

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

안전 및 보호

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

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 · 1건

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. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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 · 1건

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) · 1건

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)

규제 정보

Regulatory Information · 2건

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

안전 데이터

tsca
TSCA listed
ridadr
3275
독성
rat,LDLo,oral,1gm/kg (1000mg/kg),LUNGS, THORAX, OR RESPIRATION: DYSPNEAGASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS,National Technical Information Service. Vol. OTS0571510,
HS 번호
2926.90.5050
risk_code
11-20/21/22
safety_code
16-26-36/37/39

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb;2022: 50,000 - <250,000 lb;2021: <50,000 lb;2020: 50,000 - <250,000 lb
General Manufacturing Information3-Butenenitrile, 2-methyl-: ACTIVE

응용 분야

일반 설명Clear yellow liquid.

상·하류 제품 정보

공급사49 곳

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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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5건

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