6-Fluoro-1H-benzimidazole-2-carboxylic acid
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Basic information
- CAS
876710-76-8- Standard SMILES
O=C(O)c1nc2ccc(F)cc2[nH]1- InChIKey
TYXHLKWWJIWESF-UHFFFAOYSA-N- Molecular formula
- C8H5FN2O2
- Average molar mass
- 180.14 g/mol
- Monoisotopic mass
- 180.03350557
Names & identifiers
- Preferred name
- 6-Fluoro-1H-benzimidazole-2-carboxylic acid
- IUPAC
- 6-fluoro-1H-benzimidazole-2-carboxylic acid
- English name
- 5-Fluorobenzimidazole-2-carboxylic acid monohydrate
- Molecular formula
- C8H5FN2O2
- Molecular weight
- 180.14
Names & synonyms
876710-76-86-fluoro-1H-benzimidazole-2-carboxylic acidDTXSID20390137RefChem:308344DTXCID003409986-Fluoro-1H-benzoimidazole-2-carboxylic acid5-fluoro-1H-benzimidazole-2-carboxylic acid5-fluoro-1H-1,3-benzodiazole-2-carboxylic acidMFCD067390586-FLUORO-1H-BENZO[D]IMIDAZOLE-2-CARBOXYLIC ACID5-fluoro-3H-1,3-benzodiazole-2-carboxylic acid6-fluorobenzimidazole-2-carboxylic acid
Show more names
5-Fluoro-1H-benzimidazole-2-carboxylic5-Fluorobenzimidazole-2-carboxylic Acid1H-Benzimidazole-2-carboxylic acid, 6-fluoro6-fluoro-1H-1,3-benzodiazole-2-carboxylic acid5-Fluorobenzimidazole-2-carboxylic acid monohydrate6-fluoro-1H-benzimidazole-2-carboxylic acid(SALTDATA: 0.8H2O)
1H-Benzimidazole-2-carboxylicacid, 6-fluoro-5-Fluoro-1H-benzoimidazole-2-carboxylic acid5-Fluoro-1H-benzo[d]imidazole-2-carboxylic acidSCHEMBL2243699SCHEMBL2243706TYXHLKWWJIWESF-UHFFFAOYSA-NALBB-003801SBB010647
Database identifiers
- CAS
876710-76-8- PubChem CID
- 3157481
- DTXSID
DTXSID20390137- EC Number
- 110-579-2
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 447.2 · 447.2±37.0 °C(Predicted)
- Density
- 1.61 · 1.610±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.27 · 1.27±0.30(Predicted)
- HS Code
- 2933998090 · 2933998090
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]
P264, P270, P301+P317, P330, 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
- hs_code
- 2933998090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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