Grundinformationen
- Standard-SMILES
c1ncncn1- InChIKey
JIHQDMXYYFUGFV-UHFFFAOYSA-N- Summenformel
- C3H3N3
- Durchschnittliche Molmasse
- 81,08 g/mol
- Monoisotopische Masse
- 81,03269711
Namen und Bezeichner
- Bevorzugter Name
- 1,3,5-Triazine
- IUPAC
- 1,3,5-triazine
- Lokaler Name
- 1,3,5-Triazin
- Englischer Name
- 1,3,5-Triazine
- Summenformel
- C3H3N3
- Molmasse
- 81.08
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
290-87-9- PubChem CID
- 9262
- DTXSID
DTXSID7052785- ChEMBL
CHEMBL15698- ChEBI
CHEBI:30259- UNII
- 8B5F4CM81E
- EC Number
- 206-028-1
- Nikkaji
- J102.028E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 38,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 21
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 77 · 77-83 °C (dec.)(lit.)
- Siedepunkt
- 114 °C · 114°C
- Dichte
- 1 · 1,38 g/cm3
- Brechungsindex
- 1.506 · 1.5060 (estimate)
- Flammpunkt
- 114 °C · 114°C
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- pka
- 2.07 · 2.07±0.10(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Orange to Green
- Merck
- 14 · 14,9602
- BRN
- 104790 · 104790
- CAS Datenbank
- 290 · 290-87-9(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1,3,5-Triazine(290-87-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (13%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (87%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (89.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H360 (15.2%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: 1,3,5-Triazine
1,3,5-Triazine: Does not have an individual approval but may be used under an appropriate group standard
Regulatorische Informationen
Regulatory Information
Chemical: 1,3,5-Triazine
1,3,5-Triazine: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN2928
- hs_code
- 29339900
- RTECS-Nr.
- XY2957000
- risk_code
- 22-37/38-41-34
- hazard_code
- Xn,C
- safety_code
- 22-24/25-39-26-45-36/37/39-27
- hazard_class
- 6.1
- packing_group
- II
Chemie und Industrie
Anwendungen
Verwenden1,3,5-Triazine is a reagent in oxidation reactions, in synthesis of heterocycles. Triazine derivatives are used as herbicides, pharmaceuticals, complexation agents, peptidomimetic building blocks, and dyes.
Darstellung
synthetischeSymmetrical 1,3,5-triazines are prepared by trimerization of certain nitriles such as cyanogen chloride or cyanimide. Benzoguanamine (with one phenyl and 2 amino substituents) is synthesised from benzonitrile and dicyandiamide. In the Pinner triazine synthesis (named after Adolf Pinner) the reactants are an alkyl or aryl amidine and phosgene. Insertion of an N-H moiety into a hydrazide by a copper carbenoid, followed by treatment with ammonium chloride also gives the triazine core.Amine-substituted triazines called Guanamines are prepared by the condensation of cyanoguanidine with the corresponding nitrile:(H2N)2C=NCN + RCN → (CNH2)2(CR)N3
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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Ergänzende Hinweise
Definition1,3,5-Triazine, also known as s-triazine, is a six-membered ring organic compound, which is one of the isomers of triazine.
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