Basic information
- CAS
618400-77-4- Standard SMILES
CCCCc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1- InChIKey
UUCWVOAWVAJLEA-UHFFFAOYSA-N- Molecular formula
- C21H20ClNO2
- Average molar mass
- 353.8 g/mol
- Monoisotopic mass
- 353.1182566
Names & identifiers
- Preferred name
- N-(4-Butylphenyl)-5-(2-chlorophenyl)-2-furamide
- IUPAC
- N-(4-butylphenyl)-5-(2-chlorophenyl)furan-2-carboxamide
- English name
- N-(4-butylphenyl)-5-(2-chlorophenyl)furan-2-carboxamide
- Molecular formula
- C21H20ClNO2
- Molecular weight
- 353.842
Names & synonyms
618400-77-4N-(4-butylphenyl)-5-(2-chlorophenyl)-2-furamideRefChem:827321661-430-8N-(4-butylphenyl)-5-(2-chlorophenyl)furan-2-carboxamideAKOS002709255
Database identifiers
- CAS
618400-77-4- PubChem CID
- 4494062
- EC Number
- 661-430-8
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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