1-phenyl-1H-imidazole-5-carboxylic acid
Basic information
- CAS
135417-65-1- Standard SMILES
O=C(O)c1cncn1-c1ccccc1- InChIKey
FSVMTMFHLLEQAS-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- 1-phenyl-1H-imidazole-5-carboxylic acid
- IUPAC
- 3-phenylimidazole-4-carboxylic acid
- English name
- 1-Phenyl-1H-imidazole-5-carboxylic acid
- Molecular formula
- C10H8N2O2
- Molecular weight
- 188.18
Names & synonyms
1-phenyl-1H-imidazole-5-carboxylic acid135417-65-1RefChem:435529862-199-83-phenylimidazole-4-carboxylic AcidMFCD066553581H-Imidazole-5-carboxylic acid, 1-phenyl-SCHEMBL3292428FSVMTMFHLLEQAS-UHFFFAOYSA-NKFA41765AKOS0089875261-phenyl-1H-imidazole-5-carboxylicacid
Show more names
1-phenyl-1H-imidazol-5-ylcarboxylic acidBS-13910SY072277DB-103320CS-0156118EN300-12580F11123F096892
Database identifiers
- CAS
135417-65-1- PubChem CID
- 4961978
- EC Number
- 862-199-8
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 203 °C · 203 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 424.5 · 424.5±18.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.7 · 1.70±0.10(Predicted)
- Appearance
- Off-white to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2933299090 · 2933299090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…