2-Phenylimidazole
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Basic information
- CAS
670-96-2- Standard SMILES
c1ccc(-c2ncc[nH]2)cc1- InChIKey
ZCUJYXPAKHMBAZ-UHFFFAOYSA-N- Molecular formula
- C9H8N2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.06874826
Names & identifiers
- Preferred name
- 2-Phenylimidazole
- IUPAC
- 2-phenyl-1H-imidazole
- English name
- 2-Phenylimidazole
- Molecular formula
- C9H8N2
- Molecular weight
- 144.17
Names & synonyms
2-Phenylimidazole2-Phenyl-1H-imidazole670-96-21H-Imidazole, 2-phenyl-Imidazole, 2-phenyl-CUREZOL 2PZ7R2590HM4LNSC-255226DTXSID7060968RefChem:89086DTXCID6044856211-581-7
Show more names
2PZ2PI2-Phenylimidzole2-Phenylimidazol2-Pheny1 imidazoleTIMTEC-BB SBB004131
MFCD00005186CHEMBL141892-phenyl-1h-imidazol2-Phenyl imidazolephenyl imidazole2-phenyl-imidazolePIY2-Phenylimidazole, 98%
Database identifiers
- CAS
670-96-2- PubChem CID
- 69591
- DTXSID
DTXSID7060968- ChEMBL
CHEMBL14189- UNII
- 7R2590HM4L
- EC Number
- 211-581-7
- Nikkaji
- J68.948C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 142 · 142-148 °C (lit.)
- Boiling point
- 340 °C · 340 °C
- Density
- 0.6 g/cm3 · 0.6 g/cm3
- vapor pressure
- 0.009 Pa · 0.009Pa at 20℃
- refractive index
- 1.6025 · 1.6025 (estimate)
- Flash point
- 200 °C · 200 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Solubility in methanol (almost transparency).
- form
- Powder, Granular or Crystalline Powder
- pka
- 13 · 13.00±0.10(Predicted)
- color
- Light yellow to beige
- BRN
- 114011 · 114011
- InChI
- 1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11)
- InChIKey
- ZCUJYXPAKHMBAZ-UHFFFAOYSA-N
- SMILES
- c1ccc(cc1)-c2ncc[nH]2
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
This chemical does not meet GHS hazard criteria for 2.2% (5 of 227) of reports.
Warning
H302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 227 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1H-Imidazole, 2-phenyl-
Status: Active Update: 08-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23313
2-Phenylimidazole: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (70.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933290090
- risk_code
- 36/37/38-21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Harmful
- safety_code
- 26-36-36/37
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Imidazole, 2-phenyl-: ACTIVE
Applications
Uses2-Phenylimidazole (2-PI) is used to prepare complex compounds with ruthenium (III) and also as an intermediate for agrochemical, pharmaceutical and specialty products. It also finds its application as a curing agent for epoxy resins and polyurethane.
Uses2-Phenylimidazole is used to prepare complex compounds with ruthenium(III) and also as an intermediate for agrochemical, pharmaceutical and specialty products. It also finds its application as a curing agent for epoxy resins and polyurethane.
Preparation methods
PreparationA method for preparing 2-phenylimidazole, characterized by using pure ammonia, benzaldehyde, and glyoxal aqueous solution as raw materials, and employing a gas-liquid-liquid phase method to synthesize 2-phenylimidazole: NH3(g) + C6H5CHO + CHOCHO(aqueous solution) → 2-phenylimidazole
Upstream & downstream products
Upstream raw materials
Related reactions
81 records
Compound notes
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