4-(Furan-2-amido)benzoic acid
Basic information
- CAS
5768-34-3- Standard SMILES
O=C(O)c1ccc(NC(=O)c2ccco2)cc1- InChIKey
LKSXLVUUFLNDSS-UHFFFAOYSA-N- Molecular formula
- C12H9NO4
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.05315777
Names & identifiers
- Preferred name
- 4-(Furan-2-amido)benzoic acid
- IUPAC
- 4-(furan-2-carbonylamino)benzoic acid
- English name
- 4-(2-Furoylamino)benzoic acid
- Molecular formula
- C12H9NO4
- Molecular weight
- 231.2
Names & synonyms
4-(furan-2-amido)benzoic acidRefChem:516113978-338-14-(2-Furoylamino)benzoic acid5768-34-34-(Furan-2-carboxamido)benzoic acid4-(furan-2-carbonylamino)benzoic acidMFCD00522706NSC270093Oprea1_024007Oprea1_2216584-(2-Furamido)benzoic acid
Show more names
STK324568AURORA 669BAS 00558206
4-[(furan-2-ylcarbonyl)amino]benzoic acidbenzoic acid, 4-[(2-furanylcarbonyl)amino]-CBDiCBDivE_004656SCHEMBL15056399DTXSID90313434LKSXLVUUFLNDSS-UHFFFAOYSA-N4-(2-Furoylamino)benzoic acid #
Database identifiers
- CAS
5768-34-3- PubChem CID
- 320932
- DTXSID
DTXSID90313434- EC Number
- 978-338-1
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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