1,3,5-Triazine

HCID 9262CAS 290-87-9
Substructure searchFind similar structures

Basic information

Standard SMILES
c1ncncn1
InChIKey
JIHQDMXYYFUGFV-UHFFFAOYSA-N
Molecular formula
C3H3N3
Average molar mass
81.08 g/mol
Monoisotopic mass
81.03269711

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-TriazineEINECS 206-028-1UNII-8B5F4CM81ENSC 561898B5F4CM81ES-TRIAZINE [MI]NSC-56189s-Triazine-(1,3,5)DTXSID7052785TRIAZINE, 1,3,5-CHEBI: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

Experimental & physicochemical properties

Kovats Retention Index663；663

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 2 items

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%)；Skin Corr. 1B (13%)；Skin Irrit. 2 (87%)；Eye Dam. 1 (89.1%)；STOT SE 3 (87%)；Repr. 1B (15.2%)

Regulatory information

Regulatory Information · 2 items

Chemical: 1,3,5-Triazine

1,3,5-Triazine: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk
3
rtecs
XY2957000
ridadr
UN2928
hs_code
29339900
risk_code
22-37/38-41-34
Signal word
Danger

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 · 1 item

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

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Additional notes

Definition1,3,5-Triazine, also known as s-triazine, is a six-membered ring organic compound, which is one of the isomers of triazine.

Related reactions

40 records
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Linked notes

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