Basic information
- Standard SMILES
c1ccc(-n2ccnc2)cc1- InChIKey
SEULWJSKCVACTH-UHFFFAOYSA-N- Molecular formula
- C9H8N2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.06874826
Names & identifiers
- Preferred name
- 1-Phenylimidazole
- IUPAC
- 1-phenylimidazole
- English name
- 1-Phenylimidazole
- Molecular formula
- C9H8N2
- Molecular weight
- 144.17
Names & synonyms
1-Phenylimidazole7164-98-9N-PhenylimidazoleDTXSID10221885RefChem:435716DTXCID40144376627-543-11-Phenyl-1H-imidazolePhenylimidazole1H-Imidazole, 1-phenyl-MFCD00041204CHEMBL275066
Show more names
1-Phenylimidazole>1-Phenylimidazole 97%1-Phenylimidazole,97%1-Phenylimidazole ,98%1-Phenyl-1H-imidazole 98%(1H-Imidazol-1-yl)benzene
1H-Imidazole, phenyl-Imidazole, 1-phenyl-N-(phenyl)imidazole1-Phenylimidazole, 97%SCHEMBL4511-Phenyl-1H-imidazole #SCHEMBL63013MLS001074869
Database identifiers
- CAS
7164-98-9- PubChem CID
- 81595
- DTXSID
DTXSID10221885- ChEMBL
CHEMBL275066- ChEBI
CHEBI:232094- EC Number
- 627-543-1
- Nikkaji
- J271.230J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
Solubility19.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 13 °C · 13 °C (lit.)
- Boiling point
- 142 °C/15 · 142 °C/15 mmHg (lit.)
- Density
- 1.14 g/mL · 1.14 g/mL at 25 °C (lit.)
- refractive index
- 1.599 · 1.599-1.601
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 5.45 · 5.45±0.10(Predicted)
- form
- Liquid
- color
- Clear light yellow to yellow
- Specific Gravity
- 1.14 · 1.140
- Water Solubility
- Slightly soluble in water.
- BRN
- 112356 · 112356
- InChI
- 1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
- InChIKey
- SEULWJSKCVACTH-UHFFFAOYSA-N
- SMILES
- c1ccc(cc1)-n2ccnc2
- CAS DataBase Reference
- 7164 · 7164-98-9(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 H-Imidazole, · 1H-Imidazole, 1-phenyl-(7164-98-9)
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29332900 · 29332900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (87%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (87%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 46 reports by companies from 6 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 CategoriesAcute Tox. 4 (87%)；Acute Tox. 4 (87%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (87%)；STOT SE 3 (89.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29332900
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses1-Phenylimidazole is a suitable reagent used to investigate its effect on the citrulline formation by bovine brain nitric-oxide synthase.
General Description1-Phenylimidazole is an imidazole derivative. It induces 7-ethoxyresorufin-O-deethylase (EROD) activity in rainbow trout (Oncorhynchus mykiss) hepatocytes. The S(1)→S(0) transition of 1-phenylimidazole has been investigated in a supersonic jet expansion by resonant two-photon ionization. 1-Phenylimidazole is reported to be inhibitor of calmodulin-dependent nitric-oxide synthase from bovine brain and GHs pituitary cells.
Upstream & downstream products
Upstream raw materials
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上海康恩博医药科技有限公司17510465506 · [email protected]
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Related reactions
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