4-chloro-N-(furan-2-ylmethyl)benzamide
Basic information
- CAS
54979-77-0- Standard SMILES
O=C(NCc1ccco1)c1ccc(Cl)cc1- InChIKey
SKMGYVCLHQFMCA-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2
- Average molar mass
- 235.66 g/mol
- Monoisotopic mass
- 235.0400063
Names & identifiers
- Preferred name
- 4-chloro-N-(furan-2-ylmethyl)benzamide
- IUPAC
- 4-chloro-N-(furan-2-ylmethyl)benzamide
- English name
- 4-chloro-N-(furan-2-ylmethyl)benzamide
- Molecular formula
- C12H10ClNO2
- Molecular weight
- 235.67
Names & synonyms
4-Chloro-n-furan-2-ylmethyl-benzamide4-chloro-N-(furan-2-ylmethyl)benzamide54979-77-04-chloro-N-(2-furylmethyl)benzamideOprea1_155003Oprea1_448468SCHEMBL2422719SKMGYVCLHQFMCA-UHFFFAOYSA-N4-chloro-n-2-furylmethyl-benzamideSTK016696AKOS001462151WAY-299631
Show more names
4-Chloro-N-(2-furanylmethyl)benzamideBenzamide, 4-chloro-N-(2-furanylmethyl)-
ST011831CS-0360383(4-chlorophenyl)-N-(2-furylmethyl)carboxamideAB00081993-014-CHLORO-N-[(FURAN-2-YL)METHYL]BENZAMIDEZ31407942
Database identifiers
- CAS
54979-77-0- PubChem CID
- 720138
- EC Number
- 163-599-9
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 123 °C · 123 °C(Solv: benzene (71-43-2))
- Boiling point
- 413.2 · 413.2±35.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 13.53 · 13.53±0.46(Predicted)
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Suppliers
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Related reactions
1 records
Compound notes
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