p-Toluonitril
p-Tolunitrile
Grundinformationen
- CAS
104-85-8- Standard-SMILES
Cc1ccc(C#N)cc1- InChIKey
VCZNNAKNUVJVGX-UHFFFAOYSA-N- Summenformel
- C8H7N
- Durchschnittliche Molmasse
- 117,15 g/mol
- Monoisotopische Masse
- 117,05784923
Überblick
P-tolunitrile is a beige solid at 62.6 °F. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- p-Tolunitrile
- IUPAC
- 4-methylbenzonitrile
- Lokaler Name
- p-Toluonitril
- Englischer Name
- p-Tolunitrile
- Summenformel
- C8H7N
- Molmasse
- 117.15
Namen und Synonyme
p-Tolunitrile4-METHYLBENZONITRILE104-85-84-Cyanotoluene4-Tolunitrilep-Cyanotoluenep-MethylbenzonitrileBenzonitrile, 4-methyl-p-Toluonitrilep-Tolylnitrilep-Tolunitrilp-Toluenenitrile
Weitere Namen anzeigen
CNTP-CYANO TOLUENEP-Tounitrilep-Tolumitrile
p-Toluic nitrile1-Methyl-4-cyanobenzene4-Methylcyanobenzene4-ToluenkarbonitrilNitril kyseliny p-toluylovep-Tolunitril [Czech]4-Toluenkarbonitril [Czech]Nitril kyseliny p-toluylove [Czech]
Datenbank-Bezeichner
- CAS
104-85-8- PubChem CID
- 7724
- DTXSID
DTXSID6026169- ChEMBL
CHEMBL1386404- UNII
- H20555V8NO
- EC Number
- 203-244-8
- Nikkaji
- J10.115J
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
- 123
Experimentelle und physikochemische Eigenschaften
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density0.9805 at 86 °F (NTP, 1992) - Less dense than water; will float
Solubilityless than 1 mg/mL at 63 °F (NTP, 1992)
Flash Point185 °F (NTP, 1992)
Boiling Point423.7 °F at 760 mmHg (NTP, 1992)
Melting Point85.1 °F (NTP, 1992)
Physical Description
P-tolunitrile is a beige solid at 62.6 °F. (NTP, 1992)
Liquid
Physikochemische Eigenschaften
- Schmelzpunkt
- 26 · 26-28 °C(lit.)
- Siedepunkt
- 103 · 103-106 °C20 mm Hg(lit.)
- Dichte
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
This chemical does not meet GHS hazard criteria for 0.5% (1 of 207) of reports.
Danger
H315 (99%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 207 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Benzonitrile, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzonitrile, 4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: p-toluonitrile (EC: 203-244-8)
4-Tolunitrile: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Liquid Poison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Reactive GroupNitriles
Reactivity Profile
Nitriles, such as P-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
U.S. Production2021: 88,184 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Benzonitrile, 4-methyl-: ACTIVE
Anwendungen
Verwendenp-Tolunitrile is a reagent used in the preparation of 1H-Indazoles from imidates and nitrosobenzenes.
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