5-[(2-Cyanophenoxy)methyl]furan-2-carboxylic acid
Basic information
- CAS
893743-98-1- Standard SMILES
N#Cc1ccccc1OCc1ccc(C(=O)O)o1- InChIKey
XYLIAFULSQAAKP-UHFFFAOYSA-N- Molecular formula
- C13H9NO4
- Average molar mass
- 243.21 g/mol
- Monoisotopic mass
- 243.05315777
Names & identifiers
- Preferred name
- 5-[(2-Cyanophenoxy)methyl]furan-2-carboxylic acid
- IUPAC
- 5-[(2-cyanophenoxy)methyl]furan-2-carboxylic acid
- English name
- 5-[(2-cyanophenoxy)methyl]furan-2-carboxylic acid
- Molecular formula
- C13H9NO4
- Molecular weight
- 243.21
Names & synonyms
893743-98-15-[(2-cyanophenoxy)methyl]furan-2-carboxylic Acid5-((2-cyanophenoxy)methyl)furan-2-carboxylic acidRefChem:528546106-755-35-(2-cyanophenoxymethyl)furan-2-carboxylic acidAKOS000126255NCGC00336447-01CS-0249696EN300-448915-(2-cyanophenoxymethyl)furan-2-carboxylicacidG26877
Show more names
2-Furancarboxylic acid, 5-[(2-cyanophenoxy)methyl]-
AB01329652-02Z285165978
Database identifiers
- CAS
893743-98-1- PubChem CID
- 4683151
- EC Number
- 106-755-3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 481 · 481.0±40.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 3.06 · 3.06±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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, P317, 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
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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