Basic information
- CAS
492-98-8- Standard SMILES
c1c[nH]c(-c2ncc[nH]2)n1- InChIKey
AZUHIVLOSAPWDM-UHFFFAOYSA-N- Molecular formula
- C6H6N4
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.05924619
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,2'-Biimidazole
- IUPAC
- 2-(1H-imidazol-2-yl)-1H-imidazole
- English name
- 2,2'-Biimidazole
- Molecular formula
- C6H6N4
- Molecular weight
- 134.14
Names & synonyms
2,2'-Biimidazole492-98-82,2'-Bi-1H-imidazoleWEZ56MM6ECNSC-522950DTXSID30197715RefChem:80683DTXCID90120206207-768-8CHEBI:519971H,1'H-2,2'-biimidazole2-(1H-imidazol-2-yl)-1H-imidazole
Show more names
bisimidazoleDK7399DK7719Biimidazole2-BIIMIDAZOLE2,2'-Diimidazole
MFCD000470142,2'bi-1H-imidazole1'H-2,2'-biimidazoleSTK792841NSC 522950DS-45842-imidazol-2-ylimidazole2,2-BIIMIDAZOLE
Database identifiers
- CAS
492-98-8- PubChem CID
- 101463
- DTXSID
DTXSID30197715- ChEMBL
CHEMBL333830- UNII
- WEZ56MM6EC
- EC Number
- 207-768-8
- Nikkaji
- J182.242J
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Melting point
- 350 °C · >350°C
- Boiling point
- 455.5 · 455.5±28.0 °C(Predicted)
- Density
- 1.371 · 1.371±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 1 · pK1: 5.01(+1) (25°C,μ= 0.3)
- color
- Light yellow to Brown to Dark green
- λmax
- 274 nm · 274nm(HCl aq.)(lit.)
- InChI
- InChI=1S/C6H6N4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H,(H,7,8)(H,9,10)
- InChIKey
- AZUHIVLOSAPWDM-UHFFFAOYSA-N
- SMILES
- C1(C2NC=CN=2)NC=CN=1
- FDA UNII
- 56 MM6EC · WEZ56MM6EC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- 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
Danger
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (40%)
Safety data
- hs_code
- 2933.29.4300
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1H,1''H-2,2''-Biimidazole is used in the preparation of complexes that exhibits photoluminescence and optical properties. Also used in the preparation of bismuth biimidazoles as semi-conductors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Related reactions
9 records
Compound notes
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