1-부틸이미다졸
Butylimidazole
기본 정보
- CAS
4316-42-1- 표준 SMILES
CCCCn1ccnc1- InChIKey
MCMFEZDRQOJKMN-UHFFFAOYSA-N- 분자식
- C7H12N2
- 평균 분자량
- 124.18 g/mol
- 단동위원소 질량
- 124.10004838
개요
N,n-butyl imidazole appears as a colorless to light yellow colored liquid. Insoluble in water and more dense than water. Hence sinks in water. Contact may irritate skin, eyes or mucous membranes. Toxic by ingestion, inhalation or skin absorption.
이름 및 식별자
- 우선 이름
- Butylimidazole
- IUPAC
- 1-butylimidazole
- 현지명
- 1-부틸이미다졸
- 영어명
- 1-Butylimidazole
- 분자식
- C7H12N2
- 분자량
- 124.18
이름 및 동의어
1-BUTYLIMIDAZOLE4316-42-11-butyl-1H-imidazole1H-Imidazole, 1-butyl-1-N-ButylimidazoleButylimidazoleC7JXC99E8FNSC-158165DTXSID8073976butyl imidazoleRefChem:571854DTXCID7040239
이름 더 보기
1-부틸이미다졸SKL15591-Butyl-1-N-ButyLN-BUTYL IMIDAZOLEButyl-N-imidazole1-buthylimidazoleN-Butyl-1H-imidazole
224-335-9N-ButylimidazoleN-(n-Butyl)imidazoleMFCD00042753N-n-butylimidazoleEINECS 224-335-9n-n-butyl imidazoleNSC158165
데이터베이스 식별자
- CAS
4316-42-1- PubChem CID
- 61347
- DTXSID
DTXSID8073976- ChEMBL
CHEMBL97667- UNII
- C7JXC99E8F
- EC Number
- 224-335-9
- Nikkaji
- J61.488B
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 17.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 73.3
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Imidazoles
Physical Description
N,n-butyl imidazole appears as a colorless to light yellow colored liquid. Insoluble in water and more dense than water. Hence sinks in water. Contact may irritate skin, eyes or mucous membranes. Toxic by ingestion, inhalation or skin absorption.
Colorless to light yellow liquid; [CAMEO] Colorless liquid with an amine-like odor; [Alfa Aesar MSDS]
물리화학적 성질
- 끓는 점
- 114 · 114-116 °C12 mm Hg(lit.)
- 밀도
- 0.945 g/mL · 0.945 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.480(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름, 메탄올에 용해됩니다.
- 산도 계수 (pKa)
- 7.09 · 7.09±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Light yellow to Light orange
- Specific Gravity
- 0.948 · 0.948
- 폭발한계
- 2.7 · 2.7-15.7%(V)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Health HazardsExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Hazards SummaryMay cause irritation; Toxic by ingestion, inhalation, and skin absorption; [CAMEO] An irritant that may cause serious eye injury; Highly toxic by inhalation; [Alfa Aesar MSDS]
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
N,N-BUTYL IMIDAZOLE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
DOT Hazard Classification
N-n-Butyl imidazole
UN2690
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG II: the degree of danger presented by the material is medium
화학 및 산업
응용 분야
용도1-Butylimidazole may be used in the synthesis of a heterocyclic mesomeric betaine. It was used in the synthesis of 1-(1-butyl-3-imidazolio)propane-3-sulfonate (BIm3S).
일반 설명A colorless to light yellow colored liquid. Insoluble in water and more dense than water. Hence sinks in water. Contact may irritate skin, eyes or mucous membranes. Toxic by ingestion, inhalation or skin absorption.
상·하류 제품 정보
상류 원료
하류 제품
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