Basic information
- CAS
33893-89-9- Standard SMILES
c1ccc(-c2nn[nH]n2)nc1- InChIKey
LQWXEEDCMLEVHU-UHFFFAOYSA-N- Molecular formula
- C6H5N5
- Average molar mass
- 147.14 g/mol
- Monoisotopic mass
- 147.05449518
Names & identifiers
- Preferred name
- 2-(2H-Tetrazol-5-yl)pyridine
- IUPAC
- 2-(2H-tetrazol-5-yl)pyridine
- English name
- 4-(2H-Tetrazol-5-yl)-pyridine
- Molecular formula
- C6H5N5
- Molecular weight
- 147.14
Names & synonyms
2-(2H-tetrazol-5-yl)pyridineRefChem:454481109-069-233893-89-92-(1H-TETRAZOL-5-YL)PYRIDINE5-(2-Pyridyl)-1H-TetrazoleMFCD000681142-(2H-Tetrazol-5-yl)-pyridinePyridine, 2-(1H-tetrazol-5-yl)-2-(5-Tetrazolyl)pyridine2-(1H-1,2,3,4-tetrazol-5-yl)pyridine2-(2H-1,2,3,4-tetrazol-5-yl)pyridine
Show more names
5-[2-PYRIDYL]-1H-1,2,3,4-TETRAZOLE2-(1H-1,2,3,4-tetraazol-5-yl)pyridineDK7404NSC 267037AKOS B020757AKOS B020755JACS-33893-89-9BUTTPARK 11\03-63AKOS BBS-00002774
5-(2-Pyridyl)tetrazoleCHEMBL80094cid_3202672-(1H-Tetraazol-5-yl)pyridineDTXSID003131822-(1H-Tetrazol-5-yl)-pyridinepyridine, 2-(2h-tetrazol-5-yl)-T3431
Database identifiers
- CAS
33893-89-9- PubChem CID
- 320267
- DTXSID
DTXSID00313182- ChEMBL
CHEMBL80094- EC Number
- 109-069-2
- Nikkaji
- J144.599E
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
Solubility10.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 214 · 214-215
- Boiling point
- 377.1 · 377.1±34.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 6.66 · 6.66±0.19(Predicted)
- color
- White to Light yellow
- Water Solubility
- 25 °C · Soluble in water at 25°C 11 g/L.
- InChI
- InChI=1S/C6H5N5/c1-2-4-7-5(3-1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11)
- InChIKey
- LQWXEEDCMLEVHU-UHFFFAOYSA-N
- SMILES
- C1(C2=NNN=N2)=NC=CC=C1
- CAS DataBase Reference
- 33893 · 33893-89-9(CAS DataBase Reference)
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, 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
- ridadr
- NA3077
- hs_code
- 2933.99.8290
- risk_code
- 36/37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 26-36/37/39-36-39
- hazard_class
- IRRITANT-HARMFUL
- Hazard statements
- H315-H319-H228
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Non-Hazardous
- Precautionary statements
- P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesIt is used in the synthesis and crystal structure of the [Ag(2-allyl-5-phenyl-2Htetrazole)ClO4] π,-complex .
Upstream & downstream products
Downstream products
Suppliers100 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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