3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine

HCID 70588

Notes Reactions

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Basic information

CAS: 1046-56-6
Standard SMILES: c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccccc2)cc1
InChIKey: OTMYLOBWDNFTLO-UHFFFAOYSA-N
Molecular formula: C20H14N4
Average molar mass: 310.4 g/mol
Monoisotopic mass: 310.12184646

Overview

5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine is a member of 1,2,4-triazines.

Names & identifiers

Preferred name: 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
IUPAC: 5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazine
English name: 3-(2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE
Molecular formula: C20H14N4
Molecular weight: 310.35

Names & synonyms

1046-56-63-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazineFERROTRACE1,2,4-Triazine, 5,6-diphenyl-3-(2-pyridinyl)-as-Triazine, 5,6-diphenyl-3-(2-pyridyl)-5,6-Diphenyl-3-(2-pyridinyl)-1,2,4-triazineZ9WP0M1OQUPDPTDTXSID8061428NSC-242686RefChem:599137

Show more names

PDTTIMTEC-BB SBB0088693-(2-PYRIDYL)-5,6-DIPHENYLTRIAZINE3-(2-Pyridinyl)-5,6-diphenyl-as-triazine4-triazine,5,6-diphenyl-3-(2-pyridinyl)-25,6-Ddiphenyl-3-(2-pyridyl)-1,2,4-triazine

DTXCID8032885213-878-75,6-diphenyl-3-pyridin-2-yl-1,2,4-triazine5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazineBio7C7MFCD00006462Maybridge1_007490EINECS 213-878-7

Database identifiers

CAS: 1046-56-6
PubChem CID: 70588
DTXSID: DTXSID8061428
ChEMBL: CHEMBL2094583
ChEBI: CHEBI:183381
UNII: Z9WP0M1OQU
EC Number: 213-878-7
Nikkaji: J7.227C

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 51.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 376

Physicochemical properties

Melting point: 191 · 191-193 °C (lit.)
Boiling point: 440.52 °C · 440.52°C (rough estimate)
Density: 1.2028 · 1.2028 (rough estimate)
refractive index: 1.64 · 1.6400 (estimate)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: -0.06 · -0.06±0.63(Predicted)
color: Light yellow to Yellow to Orange
Water Solubility: Soluble in water.
BRN: 542151 · 542151
Stability: Stable. Incompatible with strong acids, strong oxidizing agents.
InChI: 1S/C20H14N4/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(22-18)17-13-7-8-14-21-17/h1-14H
InChIKey: OTMYLOBWDNFTLO-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-c2nnc(nc2-c3ccccc3)-c4ccccn4
CAS DataBase Reference: 1046 · 1046-56-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 9 WP0M1OQU · Z9WP0M1OQU
EPA Substance Registry System: 1 · 1,2,4-Triazine, 5,6-diphenyl-3-(2-pyridinyl)- (1046-56-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 8598150 · XY8598150
TSCA: TSCA listed
HS Code: 29336990 · 29336990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

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 · 4 items

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (93.2%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: XY8598150
hs_code: 29336990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2,4-Triazine, 5,6-diphenyl-3-(2-pyridinyl)-: ACTIVE

Applications · 2 items

Uses3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine was employed as chromogenic-extraction reagent during spectrophotometric determination of iron in acids and acidic solutions. It was also employed as precolumn derivatizing reagent in the HPLC method with UV absorbance detection for the Fe(II) determination.

General Description3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine (PDT) reacts with Cu(II) perchlorate in ethanol to yield [Cu(PDT)2(ClO4)2].

Upstream & downstream products

Upstream raw materials

Downstream products

3,5,6-Triphenyl-1,2,4-triazine 2,4,6-TRIPHENYL-S-TRIAZINE

Suppliers64 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]

Additional notes

DefinitionChEBI: 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine is a member of 1,2,4-triazines.

Related reactions

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Compound notes

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