1,3,5-Triazine
Basic information
- CAS
290-87-9- Standard SMILES
c1ncncn1- InChIKey
JIHQDMXYYFUGFV-UHFFFAOYSA-N- Molecular formula
- C3H3N3
- Average molar mass
- 81.08 g/mol
- Monoisotopic mass
- 81.03269711
Overview
1,3,5-triazine is a member of 1,3,5-triazines and a triazine.
Names & identifiers
- Preferred name
- 1,3,5-Triazine
- IUPAC
- 1,3,5-triazine
- English name
- 1,3,5-Triazine
- Molecular formula
- C3H3N3
- Molecular weight
- 81.08
Names & synonyms
1,3,5-TRIAZINEs-Triazines-Triazine-(1,3,5)EINECS 206-028-1UNII-8B5F4CM81ENSC 561898B5F4CM81ETRIAZINE, 1,3,5-S-TRIAZINE [MI]NSC-56189DTXSID7052785CHEBI:30259
Show more names
TRIAZINETRIAZINETriazin(sym.)1,3,5-TriazinTriazinCyanidines-Triazinvedita250
6294-83-3RefChem:72302DTXCID3031361InChI=1/C3H3N3/c1-4-2-6-3-5-1/h1-3JIHQDMXYYFUGFV-UHFFFAOYSA-N290-87-9sym-TriazineVedita 250
Database identifiers
- CAS
290-87-9- PubChem CID
- 9262
- DTXSID
DTXSID7052785- ChEMBL
CHEMBL15698- ChEBI
CHEBI:30259- UNII
- 8B5F4CM81E
- EC Number
- 206-028-1
- Nikkaji
- J102.028E
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 21.5
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP-0.73
Physicochemical properties
- Melting point
- 77 · 77-83 °C (dec.)(lit.)
- Boiling point
- 114 °C · 114°C
- Density
- 1 · 1,38 g/cm3
- refractive index
- 1.506 · 1.5060 (estimate)
- Flash point
- 114 °C · 114°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- pka
- 2.07 · 2.07±0.10(Predicted)
- form
- powder to crystal
- color
- White to Orange to Green
- Sensitive
- Moisture Sensitive
- Merck
- 14 · 14,9602
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
Hazard information
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
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
Safety data
- wgk
- 3
- rtecs
- XY2957000
- ridadr
- UN2928
- hs_code
- 29339900
- risk_code
- 22-37/38-41-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,C
- safety_code
- 22-24/25-39-26-45-36/37/39-27
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
Chemistry & industry
Applications
Uses1,3,5-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.
Preparation methods
PreparationSymmetrical 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
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
40 records
Compound notes
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