Basic information
- CAS
91508-53-1- Standard SMILES
C(C#Cc1ccncc1)#Cc1ccncc1- InChIKey
BKRBETINLDNENR-UHFFFAOYSA-N- Molecular formula
- C14H8N2
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.06874826
Names & identifiers
- Preferred name
- 4-[4-(Pyridin-4-yl)buta-1,3-diyn-1-yl]pyridine
- IUPAC
- 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine
- English name
- 4,4'-dipyridylbutadiyne
- Molecular formula
- C14H8N2
- Molecular weight
- 204.23
Names & synonyms
4-[4-(PYRIDIN-4-YL)BUTA-1,3-DIYN-1-YL]PYRIDINE4-(4-(pyridin-4-yl)buta-1,3-diyn-1-yl)pyridineRefChem:513790860-504-991508-53-1pyridine, 4,4'-(1,3-butadiyne-1,4-diyl)bis-1,4-Di(pyridin-4-yl)buta-1,3-diyne4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine1,4-bis(4-pyridyl)butadiyne4,4'-buta-1,3-diyne-1,4-diyldipyridine1,4-bis-4-pyridylbutadiyneorb3216156
Show more names
4,4'-dipyridylbutadiyne4,4-(1,3-butadiyne-1,4-diyl)bis-4,?4'-(1,?3-butadiyne-1,4-diyl)bis-pyridine
SCHEMBL1190707DTXSID20349064BKRBETINLDNENR-UHFFFAOYSA-N4-[4-(4-pyridyl)buta-1,3-diynyl]pyridineCS-01707134,4'-(Buta-1,3-diyne-1,4-diyl)dipyridineEN300-11704056InChI=1/C14H8N2/c1(3-13-5-9-15-10-6-13)2-4-14-7-11-16-12-8-14/h5-12
Database identifiers
- CAS
91508-53-1- PubChem CID
- 642802
- DTXSID
DTXSID20349064- EC Number
- 860-504-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 208 · 208-209 °C
- Boiling point
- 385.9 · 385.9±30.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 4.04 · 4.04±0.26(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers14 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
吉林中科研伸科技有限公司0431-80534350 15044023330 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
郑州浩创新材料有限公司
Related reactions
1 records
Compound notes
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