Basic information
- CAS
56970-92-4- Standard SMILES
O=C(c1ccncc1)c1ccccn1- InChIKey
PAMJMJCMSLYAJU-UHFFFAOYSA-N- Molecular formula
- C11H8N2O
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.06366288
Names & identifiers
- Preferred name
- 2-Pyridinyl(4-pyridinyl)methanone
- IUPAC
- pyridin-2-yl(pyridin-4-yl)methanone
- English name
- Pyridin-2-yl(pyridin-4-yl)methanone
- Molecular formula
- C11H8N2O
- Molecular weight
- 184.19
Names & synonyms
56970-92-42-pyridinyl(4-pyridinyl)methanoneRefChem:483417809-337-5pyridin-2-yl(pyridin-4-yl)methanone2-(pyridine-4-carbonyl)pyridineMFCD03084340Methanone, 2-pyridinyl-4-pyridinyl-2-pyridyl(4-pyridyl)methanone2-pyridyl 4-pyridyl ketoneSCHEMBL16460100SCHEMBL31135050
Show more names
2-pyridyl-(4-pyridyl)methanonepyridin-2-yl(pyridin-4-yl)methanone(SALTDATA: FREE)
ALBB-013948AKOS005174485SB53902LS-04387CS-0314690pyridin-2-yl(pyridin-4-yl)methanone, AldrichCPRAO-801/41077354F308009
Database identifiers
- CAS
56970-92-4- PubChem CID
- 849554
- EC Number
- 809-337-5
- Nikkaji
- J2.216.575E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 121 · 121-122 °C
- Boiling point
- 344.9 · 344.9±17.0 °C(Predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 2.39 · 2.39±0.10(Predicted)
- InChI
- 1S/C11H8N2O/c14-11(9-4-7-12-8-5-9)10-3-1-2-6-13-10/h1-8H
- InChIKey
- PAMJMJCMSLYAJU-UHFFFAOYSA-N
- SMILES
- O=C(c1ccncc1)c2ccccn2
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers16 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Syntechem Co.,Ltd[email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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