5-(4-Pyridyl)-1H-Tetrazole

HCID 482249

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Basic information

CAS: 14389-12-9
Standard SMILES: c1cc(-c2nn[nH]n2)ccn1
InChIKey: JMILUUVWLRKJFB-UHFFFAOYSA-N
Molecular formula: C6H5N5
Average molar mass: 147.14 g/mol
Monoisotopic mass: 147.05449518

Names & identifiers

Preferred name: 5-(4-Pyridyl)-1H-Tetrazole
IUPAC: 4-(2H-tetrazol-5-yl)pyridine
English name: 5-(4-Pyridyl)-1H-tetrazole
Molecular formula: C6H5N5
Molecular weight: 147.14

Names & synonyms

5-(4-Pyridyl)-1H-Tetrazole14389-12-9DTXSID80333101RefChem:1072478DTXCID702841934-(2h-tetrazol-5-yl)pyridine4-(1H-tetrazol-5-yl)pyridineMFCD000681154-(1H-tetrazol-5-yl)-pyridine4-(1H-1,2,3,4-tetrazol-5-yl)pyridine4-(5-Tetrazolyl)pyridineF3173-0037

Show more names

DK7405Pyridyltetrazole5-(Pyridin-4-yl)-1H-tetrazolePyridine, 4-(2H-tetrazol-5-yl)-5-[4-PYRIDYL]-1H-1,2,3,4-TETRAZOLE4-(1H-1,2,3,4-tetraazol-5-yl)pyridine

5-(4-pyridyl)-2H-1,2,3,4-tetraazole4-(2h-tetrazole-5-yl)pyridinePyridine, 4-(1H-tetrazol-5-yl)-5-(4-pyridyl)tetrazolePyridine,4-(2H-tetrazol-4-(5-Tetrazolyl) pyridineSCHEMBL7036465-(4-pyridyl)-1H-tetraazole

Database identifiers

CAS: 14389-12-9
PubChem CID: 482249
DTXSID: DTXSID80333101
EC Number: 670-806-0
Nikkaji: J989.467E

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 122

Physicochemical properties

Melting point: 265 °C · 265 °C
Boiling point: 390.3 · 390.3±44.0 °C(Predicted)
Density: 1.388 · 1.388±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 6.92 · 6.92±0.10(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C6H5N5/c1-3-7-4-2-5(1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11)
InChIKey: JMILUUVWLRKJFB-UHFFFAOYSA-N
SMILES: C1=NC=CC(C2=NNN=N2)=C1
CAS DataBase Reference: 14389 · 14389-12-9(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H228
Precautionary statements: 240 · P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313

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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933998090
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 22-36/37/39-36-26
hazard_class: IRRITANT-HARMFUL
Hazard statements: H315-H319-H228
Precautionary statements: P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses5-(4-PYRIDYL)-1H-TETRAZOLE is used as a ligand for the synthesis of MOF materials: 2D polyoxometalate-based coordination polymers (POMCPs); NbU-8; [Co3(L)2(4-PTZ)2(H2O)2]; Cd3(OH)2Cl2(4-PTZ)2.

Suppliers80 total

上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

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