4-Phenyl-1H-imidazole-2-carbaldehyde
Completing data — refresh the page later to see the latest
Basic information
- CAS
56248-10-3- Standard SMILES
O=Cc1ncc(-c2ccccc2)[nH]1- InChIKey
OIZJTDJQBZIIAH-UHFFFAOYSA-N- Molecular formula
- C10H8N2O
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.06366288
Names & identifiers
- Preferred name
- 4-Phenyl-1H-imidazole-2-carbaldehyde
- IUPAC
- 5-phenyl-1H-imidazole-2-carbaldehyde
- English name
- 4-Phenyl-1H-imidazole-2-carbaldehyde
- Molecular formula
- C10H8N2O
- Molecular weight
- 172.18
Names & synonyms
56248-10-34-Phenyl-1H-imidazole-2-carbaldehydeDTXSID40340891RefChem:526338DTXCID60291972855-471-25-Phenyl-1H-imidazole-2-carbaldehyde1H-Imidazole-2-carboxaldehyde, 4-phenyl-MFCD26620794SCHEMBL258654SCHEMBL5309622SCHEMBL27992258
Show more names
1H-IMidazole-2-carboxaldehyde,4-phenyl1H-Imidazole-2-carboxaldehyde, 5-phenyl-4-phenyl-1(3)H-imidazole-2-methylaldehyde
4-Phenylimidazole-2-carbaldehydeMFCD10696709AKOS012296404AKOS023362791AB579815-Phenyl-1H-imidazole-2-carbaldehyde #DS-11840SY191108
Database identifiers
- CAS
56248-10-3- PubChem CID
- 568384
- DTXSID
DTXSID40340891- EC Number
- 855-471-2
- Nikkaji
- J117.097J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 415.8 · 415.8±38.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 11.17 · 11.17±0.10(Predicted)
- Appearance
- Light yellow to brown Solid
- InChI
- InChI=1S/C10H8N2O/c13-7-10-11-6-9(12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12)
- InChIKey
- OIZJTDJQBZIIAH-UHFFFAOYSA-N
- SMILES
- C1(C=O)NC(C2=CC=CC=C2)=CN=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…