기본 정보
- CAS
23996-25-0- 표준 SMILES
CCc1nc(C)cn1CCC#N- InChIKey
UIDDPPKZYZTEGS-UHFFFAOYSA-N- 분자식
- C9H13N3
- 평균 분자량
- 163.22 g/mol
- 단동위원소 질량
- 163.11094743
이름 및 식별자
- 우선 이름
- 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
- IUPAC
- 3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile
- 현지명
- 2-에틸-4-메틸이미다졸-1-프로피오니트릴
- 영어명
- 2-Ethyl-4-methyl-1H-imidazole-1-propanenitrile
- 분자식
- C9H13N3
- 분자량
- 163.22
이름 및 동의어
23996-25-01-(2-Cyanoethyl)-2-ethyl-4-methylimidazole1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-EINECS 245-975-5DTXSID60669492-Ethyl-4-methyl-1H-imidazole-1-propiononitrileRefChem:438378DTXCID4036986245-975-51-Cyanoethyl-2-ethyl-4-methylimidazole2-Ethyl-4-methyl-1H-imidazole-1-propanenitrile3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile
이름 더 보기
2-에틸-4-메틸이미다졸-1-프로피오나이트릴2-에틸-4-메틸이미다졸-1-프로피오니트릴2-에틸-4-메틸이미다졸-1-프로피오나이트릴(2-ETHYL-4-METHYLIMIDAZOLE-1-PROPIONI...2-에틸-4-메틸-1H-이미다졸-1-프로판니트릴2E4MZ-CNEMI24CN70.0%(GC)2-Ethyl-4-methyl-1H-Cyanomethyl ethyl methylimidazole1-CYANO-2-ETHYL-4-METHYL IMIDAZOLE1-CYANOMETHYL-2-ETHYL-4-METHYLIMIDAZOLE2-ethyl-4-methylimidazole-1-propionitrile
MFCD000514923-(2-ethyl-4-methylimidazol-1-yl)propanenitrile1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole (contains 5-methyl isomer)3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile;3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrileR6L9KGM45M3-(2-ethyl-4-methyl-imidazol-1-yl)propanenitrileSCHEMBL138437AKOS015960592
데이터베이스 식별자
- CAS
23996-25-0- PubChem CID
- 90327
- DTXSID
DTXSID6066949- UNII
- R6L9KGM45M
- EC Number
- 245-975-5
- Nikkaji
- J183.860A
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 41.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 181
물리화학적 성질
- 녹는점
- 11 °C · 11 °C
- 끓는 점
- 245 · 245-246 °C (lit.)
- 밀도
- 0.95 g/mL · 0.950 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.5070(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 7.76 · 7.76±0.60(Predicted)
- 색상
- Light yellow to Yellow to Orange
- InChI
- InChI=1S/C9H13N3/c1-3-9-11-8(2)7-12(9)6-4-5-10/h7H,3-4,6H2,1-2H3
- InChIKey
- UIDDPPKZYZTEGS-UHFFFAOYSA-N
- SMILES
- C1(CC)N(CCC#N)C=C(C)N=1
- NIST
- 1 · 1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole(23996-25-0)
- EPA
- 1 H-Imidazole-1-propanenitrile, · 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl- (23996-25-0)
화학적 성질
Pale yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (45.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 108 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
Hazard Classes and CategoriesAcute Tox. 3 (45.4%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG 3
- HS 번호
- 2933.29.9000
- risk_code
- 25-37/38-41
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 6.1
- 기존화학 물질
- KE-13921
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-: ACTIVE
응용 분야
용도2-Ethyl-4-methyl-1H-imidazole-1-propanenitrile is a commercial latent catalyst, but it is not very latent at room temperature. It can be used in adhesives, coatings, molding resins, insulation materials and composite materials.
상·하류 제품 정보
상류 원료
공급사100 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…