2-Phenylimidazole (HCID 69591)

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 properties

XLogP: 1.9
Topological polar surface area: 28.7 Å²
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
LogP: 1.29 at · 1.29 at 25℃ and pH7.5
CAS DataBase Reference: 670 · 670-96-2(CAS DataBase Reference)
FDA UNII: 7 R2590HM4L · 7R2590HM4L
EPA Substance Registry System: 1 H-Imidazole, · 1H-Imidazole, 2-phenyl- (670-96-2)
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P501
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-21/22
Safety Statements: 26 · 26-36-36/37
WGK Germany: 3 · 3
Hazard Note: Harmful
TSCA: TSCA listed
HS Code: 29332990 · 29332990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

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 · 3 items

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: 29332990
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
Storage Class: 11 - Combustible Solids
Hazard statements: H302
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Imidazole, 2-phenyl-: ACTIVE

Applications · 2 items

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 · 1 item

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