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Basic information
- CAS
492-73-9- Standard SMILES
O=C(C(=O)c1ccccn1)c1ccccn1- InChIKey
PIINXYKJQGMIOZ-UHFFFAOYSA-N- Molecular formula
- C12H8N2O2
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.0585775
Names & identifiers
- Preferred name
- Di-2-pyridylethanedione
- IUPAC
- 1,2-dipyridin-2-ylethane-1,2-dione
- English name
- Di-2-pyridylglyoxal
- Molecular formula
- C12H8N2O2
- Molecular weight
- 212.2
Names & synonyms
2,2'-Pyridil492-73-9Di-2-pyridylethanedioneEthanedione, di-2-pyridinyl-AI3-52658EINECS 207-759-9NSC 16545DTXSID90197711RefChem:586005DTXCID50120202207-759-9Di-2-pyridylglyoxal
Show more names
2,2'-Pyridyl2,22-PyridilALPHA-PYRIDIL2,2'-Dipyridil2,2'-pyridineone2,2''-PYRIDIL 98%TIMTEC-BB SBB008934
bis(pyridin-2-yl)ethane-1,2-dioneBipicolinoyl1,2-dipyridin-2-ylethane-1,2-dione1,2-di(pyridin-2-yl)ethane-1,2-dione.alpha.-Pyridil1,2-Ethanedione, 1,2-di-2-pyridinyl-MFCD00006301Glyoxal, di-2-pyridyl-
Database identifiers
- CAS
492-73-9- PubChem CID
- 68115
- DTXSID
DTXSID90197711- ChEMBL
CHEMBL373345- UNII
- 83Z989L39X
- EC Number
- 207-759-9
- Nikkaji
- J66C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 154 · 154-156 °C(lit.)
- Boiling point
- 400 · 400.0±20.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 1.31 · 1.31±0.10(Predicted)
- form
- solid
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H
- InChIKey
- PIINXYKJQGMIOZ-UHFFFAOYSA-N
- SMILES
- C(C1=NC=CC=C1)(=O)C(C1=NC=CC=C1)=O
- CAS DataBase Reference
- 492 · 492-73-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers43 total
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
Related reactions
16 records
Compound notes
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