m-Toluonitril
3-Tolunitrile
Grundinformationen
- CAS
620-22-4- Standard-SMILES
Cc1cccc(C#N)c1- InChIKey
BOHCMQZJWOGWTA-UHFFFAOYSA-N- Summenformel
- C8H7N
- Durchschnittliche Molmasse
- 117,15 g/mol
- Monoisotopische Masse
- 117,05784922
Überblick
M-tolunitrile is a clear, yellow liquid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 3-Tolunitrile
- IUPAC
- 3-methylbenzonitrile
- Lokaler Name
- m-Toluonitril
- Englischer Name
- m-Tolunitrile
- Summenformel
- C8H7N
- Molmasse
- 117.15
Namen und Synonyme
m-Tolunitrile3-METHYLBENZONITRILE620-22-4m-Cyanotoluene3-CyanotolueneBenzonitrile, 3-methyl-3-Tolunitrilem-Toluonitrilem-Methylbenzonitrilem-Toluenenitrilem-Tolylnitrilem-Tolynitrile
Weitere Namen anzeigen
MCTCNTMTNHHF7MCT1D
1-Methyl-3-cyanobenzene3-ToluenkarbonitrilNitril kyseliny m-toluylove3-Toluenkarbonitril [Czech]NSC 75453CCRIS 4736DTXSID6026167AH2J4VY1AK
Datenbank-Bezeichner
- CAS
620-22-4- PubChem CID
- 12104
- DTXSID
DTXSID6026167- ChEMBL
CHEMBL1229944- UNII
- AH2J4VY1AK
- EC Number
- 210-631-5
- Nikkaji
- J45.958E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 131
Experimentelle und physikochemische Eigenschaften
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]
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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.
Chemie und Industrie
Verwendung und Herstellung
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
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
22
Notizen zur Verbindung
Wird geladen…