Basic information
- CAS
42309-90-0- Standard SMILES
O=C(O)c1nc[nH]c1F- InChIKey
BKPMWUILLTUJIG-UHFFFAOYSA-N- Molecular formula
- C4H3FN2O2
- Average molar mass
- 130.08 g/mol
- Monoisotopic mass
- 130.0178555
Names & identifiers
- Preferred name
- 4-fluoro-1H-imidazole-5-carboxylic acid
- IUPAC
- 5-fluoro-1H-imidazole-4-carboxylic acid
Names & synonyms
4-Fluoro-1H-imidazole-5-carboxylic acid42309-90-0RefChem:523032976-641-35-Fluoro-4-imidazolic acidEtomidate Impurity 77SCHEMBL6342553BKPMWUILLTUJIG-UHFFFAOYSA-N4-Fluoroimidazole-5-carboxylic acid5-Fluoroimidazole-4-carboxylic acidAKOS006353230AT31279
Show more names
4-Fluoro-1H-imidazole-5-carboxylicacid5-Fluoro-1H-imidazole-4-carboxylic acid #
Database identifiers
- CAS
42309-90-0- PubChem CID
- 582575
- EC Number
- 976-641-3
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 130
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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