Basic information
- CAS
18653-75-3- Standard SMILES
c1ccc(-c2ncc[nH]2)nc1- InChIKey
SZXUTTGMFUSMCE-UHFFFAOYSA-N- Molecular formula
- C8H7N3
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.06399722
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-(1H-imidazol-2-yl)pyridine
- IUPAC
- 2-(1H-imidazol-2-yl)pyridine
- English name
- 2-(1H-IMIDAZOL-2-YL)-PYRIDINE
- Molecular formula
- C8H7N3
- Molecular weight
- 145.16
Names & synonyms
2-(1H-Imidazol-2-yl)pyridine18653-75-3DTXSID00343363RefChem:451428DTXCID60294443695-587-92-(1H-Imidazol-2-yl)-pyridine2-(Pyridyl-2-yl)imidazole2-(2-Pyridyl)imidazole2-(2-Imidazolyl)pyridine2-(IMIDAZOL-2-YL)-PYRIDINEMFCD05863221
Show more names
DK74012-(2′-Pyridyl)imidazole2-(Pyridin-2-yl)imidazole2-(Imidazol-2-yl)pyridine2-(imidazole-2-yl)pyridine2-(1H-lmidazol-2-yl)pyridine
SCHEMBL117383F1905-70742-(2 inverted exclamation marka-Pyridyl)imidazole pound>>2-(2-Pyridyl)imidazole pound>> 2-(Imidazol-2-yl)pyridine pound>>2-(Pyridin-2-yl)imidazole pound>> Pyridine,2-imidazol-2-yl- (8Cl)PYRIDINE, 2-(1H-IMIDAZOL-2-YL)-pyridinyl imidazole1H-imidazol-2-ylpyridine2-(2'-pyridyl) imidazole2-Imidazol-2-yl)-pyridine
Database identifiers
- CAS
18653-75-3- PubChem CID
- 589313
- DTXSID
DTXSID00343363- ChEMBL
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 135 · 135-140°C
- Boiling point
- 382.8 · 382.8±15.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- pka
- 1 · pK1:8.98(+1) (25°C,μ=0.005)
- form
- solid
- color
- Light brown to yellow
- InChI
- InChI=1S/C8H7N3/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-6H,(H,10,11)
- InChIKey
- SZXUTTGMFUSMCE-UHFFFAOYSA-N
- SMILES
- C1(C2NC=CN=2)=NC=CC=C1
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.6%): 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
Uses2-(2-Pyridyl)imidazole is a useful reagent in substitution reaction with bromobenzene.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
13 records
Compound notes
Loading…