Basic information
- CAS
57654-36-1- Standard SMILES
c1cc(-c2nnc(-c3ccncc3)nn2)ccn1- InChIKey
MQSMIIJCRWDMDL-UHFFFAOYSA-N- Molecular formula
- C12H8N6
- Average molar mass
- 236.23 g/mol
- Monoisotopic mass
- 236.08104428
Names & identifiers
- Preferred name
- 3,6-Di(4-pyridyl)-1,2,4,5-tetrazine
- IUPAC
- 3,6-dipyridin-4-yl-1,2,4,5-tetrazine
- English name
- 3,6-Di-4-pyridyl-1,2,4,5-tetrazine
- Molecular formula
- C12H8N6
- Molecular weight
- 236.23
Names & synonyms
57654-36-13,6-Di(4-pyridyl)-1,2,4,5-tetrazineDTXSID40407211RefChem:487459DTXCID50358063680-180-03,6-di(pyridin-4-yl)-1,2,4,5-tetrazine3,6-dipyridin-4-yl-1,2,4,5-tetrazine3,6-DI-4-PYRIDYL-1,2,4,5-TETRAZINEbis(pyridin-4-yl)-1,2,4,5-tetrazineMFCD001290543,6-Bis(4-pyridyl)-1,2,4,5-tetrazine
Show more names
DK7481DK73003,6-Bis(4-Pyridyl)-S-Tetrazine2,5-DI-(4-PYRIDYL)-S-TETRAZINE1,2,4,5-Tetrazine, 3,6-di-4-pyridinyl-3,6-Di(4-pyridyl)-1,2,4,5-tetrazine>3,6-di(pyridin-4-yl)-1,2,4,5-tetrazine
AKOS027327448AS-63622D32113,6-di(pyridin-4-yl)A869624Oprea1_022240orb3214861SCHEMBL1898780
Database identifiers
- CAS
57654-36-1- PubChem CID
- 4980025
- DTXSID
DTXSID40407211- EC Number
- 680-180-0
- Nikkaji
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 257 °C · 257 °C
- Boiling point
- 528.1 · 528.1±60.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- -0.88 · -0.88±0.10(Predicted)
- color
- Yellow to Amber to Dark red
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 29339900 · 29339900
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses3,6-DI-4-PYRIDYL-1,2,4,5-TETRAZINE can be used as ligands in the synthesis of MOF materials: CPL-11; CID-22.
Suppliers90 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
上海卡伦姆生化科技有限公司15837198050 · [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17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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