기본 정보
- CAS
31551-28-7- 표준 SMILES
CC/C=C(\C)C#N- InChIKey
MLPZAALXVQOBFB-GQCTYLIASA-N- 분자식
- C6H9N
- 평균 분자량
- 95.14 g/mol
- 단동위원소 질량
- 95.07349929
이름 및 식별자
- 우선 이름
- cis-2-Methyl-2-pentenenitrile
- IUPAC
- (E)-2-methylpent-2-enenitrile
- 현지명
- (E)-2-메틸펜트-2-엔니트릴
- 영어명
- (E)-2-methylpent-2-enenitrile
- 분자식
- C6H9N
- 분자량
- 95.14
이름 및 동의어
(E)-2-Methylpent-2-enenitrile2-Pentenenitrile, 2-methyl-, (2E)-31551-28-7(E)-2-Methyl-2-pentenenitrileU4SHU6UFHXHSDB 61632-Pentenenitrile, 2-methyl-, (E)-CIS-2-METHYL-2-PENTENENITRILE(2E)-2-methyl-2-pentenenitrileEINECS 250-694-62-Pentenenitrile, 2-methyl, (E)-trans-alpha-Methyl-beta-ethylacrylonitrile
이름 더 보기
(E)-2-메틸펜트-2-엔니트릴
DTXSID90885505(2E)-2-CYANOPENT-2-ENE2-METHYL-2-PENTENENITRILE, (E)-2-METHYL-2-PENTENENITRILE, (2E)-(E)-2-METHYL-2-PENTENENITRILE [HSDB]TRANS-.ALPHA.-METHYL-.BETA.-ETHYLACRYLONITRILERefChem:577316(E)2Methyl2pentenenitrile
데이터베이스 식별자
- CAS
31551-28-7- PubChem CID
- 5352201
- DTXSID
DTXSID90885505- UNII
- U4SHU6UFHX
- EC Number
- 250-694-6
- Nikkaji
- J278.142E
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 23.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 113
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitriles
LogPlog Kow= 0.4
Color/FormLiquid
Boiling Point153 °C.
Vapor Pressure4.0 [mmHg]
Physical DescriptionLiquid; [HSDB]
물리화학적 성질
- 끓는 점
- 153 °C · 153 °C
- 밀도
- 0.82802 g/cm3 · 0.82802 g/cm3
- EPA
- 2 · 2-Pentenenitrile, 2-methyl-, (2E)- (31551-28-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Pentenenitrile, 2-methyl-, (E)-
REACH registered substance: (E)-2-methylpent-2-enenitrile (EC: 250-694-6)
Hazards SummaryEmergency treatment: Acetonitrile; Acetonitrile can cause delayed onset (2-13 hours) cyanide poisoning; [HSDB] See NITRILES.
Special Reports
ITC/USEPA; Information Review #332B (Draft) Alkenenitriles (1983)
Kaplita PV and Smith RP; Toxicol Appl Pharmacol 84 (3): 533-540 (1986). Pathways for the bioactivation of aliphatic nitriles to free cyanide in mice.
Flammable LimitsExtremely flammable liquid /cis-2-methyl-2-butenenitrile/
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Hazardous Reactivities and IncompatibilitiesIncompatible with strong alkalies /cis-2-methyl-butenenitrile/.
독성 정보
Environmental FateAQUATIC FATE: This compound is expected to partition to air and water where degradation by hydroxyl radical oxidation, hydrolysis and biodegradation would result.
화학 및 산업
약리 정보
Metabolism/MetabolitesCis-2 methyl-2-pentenenitrile ... as /an/ alkyl-substituted methacrylonitrile, may release cyanide following absorption.
용도 및 제조
Uses
No known commercial use in the US; [HSDB]
NO EVIDENCE OF COMMERCIAL USE IN USA
U.S. Production
Approximately 3,000 lb
(1979) NOT PRODUCED COMMERCIALLY IN USA
(1981) NOT PRODUCED COMMERCIALLY IN USA
Methods of ManufacturingVAPOR PHASE AMMOXIDATION OF 2-METHYL-2-PENTENE WITH AMMONIA
General Manufacturing Information2-Pentenenitrile, 2-methyl-, (2E)-: INACTIVE
공급사1 곳
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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