3-Tolunitrile
기본 정보
- CAS
620-22-4- 표준 SMILES
Cc1cccc(C#N)c1- InChIKey
BOHCMQZJWOGWTA-UHFFFAOYSA-N- 분자식
- C8H7N
- 평균 분자량
- 117.15 g/mol
- 단동위원소 질량
- 117.05784922
개요
M-tolunitrile is a clear, yellow liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 3-Tolunitrile
- IUPAC
- 3-methylbenzonitrile
- 영어명
- m-Tolunitrile
- 분자식
- C8H7N
- 분자량
- 117.15
이름 및 동의어
m-Tolunitrile3-METHYLBENZONITRILE620-22-4m-Cyanotoluene3-CyanotolueneBenzonitrile, 3-methyl-3-Tolunitrilem-Toluonitrilem-Methylbenzonitrilem-Toluenenitrilem-Tolylnitrilem-Tolynitrile
이름 더 보기
MCTCNTMTNHHF7MCT1D
1-Methyl-3-cyanobenzene3-ToluenkarbonitrilNitril kyseliny m-toluylove3-Toluenkarbonitril [Czech]NSC 75453CCRIS 4736DTXSID6026167AH2J4VY1AK
데이터베이스 식별자
- CAS
620-22-4- PubChem CID
- 12104
- DTXSID
DTXSID6026167- ChEMBL
CHEMBL1229944- UNII
- AH2J4VY1AK
- EC Number
- 210-631-5
- Nikkaji
- J45.958E
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 23.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 131
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density1.0316 at 68 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 77 °F (NTP, 1992)
Flash Point188 °F (NTP, 1992)
Boiling Point415 °F at 760 mmHg (NTP, 1992)
Melting Point-9 °F (NTP, 1992)
Vapor Pressure0.18 [mmHg]
Physical Description
M-tolunitrile is a clear, yellow liquid. (NTP, 1992)
Clear yellow liquid; [CAMEO] Colorless liquid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 23 °C · −23 °C (lit.)
- 끓는 점
- 210 °C · 210 °C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This chemical causes skin irritation on contact. (NTP, 1992)
Hazards SummaryA mild skin and severe eye irritant in rabbits; [EPA ChAMP: Screening-Level Hazard Characterization] An irritant; [Alfa Aesar MSDS] See m-Phthalodinitrile. See NITRILES.
Reactive GroupNitriles
Reactivity Profile
Nitriles, such as M-TOLUNITRILE, may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.
Air and Water ReactionsInsoluble in water.
화학 및 산업
용도 및 제조
UsesUsed as a closed system intermediate (produced and consumed onsite) in the manufacture of Chlorothalonil (fungicide); [EPA ChAMP: Screening-Level Hazard Characterization]
General Manufacturing InformationBenzonitrile, 3-methyl-: ACTIVE
응용 분야
일반 설명Clear, yellow liquid.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
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