N-(4-Chlorophenyl)-1,3-benzodioxole-5-carboxamide
Basic information
- CAS
346726-68-9- Standard SMILES
O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2- InChIKey
FDFPTRMBOYUKQW-UHFFFAOYSA-N- Molecular formula
- C14H10ClNO3
- Average molar mass
- 275.68 g/mol
- Monoisotopic mass
- 275.0349209
Names & identifiers
- Preferred name
- N-(4-Chlorophenyl)-1,3-benzodioxole-5-carboxamide
- IUPAC
- N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
- English name
- N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
- Molecular formula
- C14H10ClNO3
- Molecular weight
- 275.6871
Names & synonyms
N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide346726-68-9RefChem:827431661-121-8MLS000062068SMR000070342N-(4-chlorophenyl)-2H-1,3-benzodioxole-5-carboxamideOprea1_714734cid_669588CHEMBL1378442BDBM40884HMS2330G16
Show more names
N-(4-chlorophenyl)-piperonylamideSTK094870AKOS003271370ST043240AK-968/12163639F2299-0285N-(4-chlorophenyl)benzo[d][1,3]dioxole-5-carboxamide2H-benzo[3,4-d]1,3-dioxolen-5-yl-N-(4-chlorophenyl)carboxamide
Database identifiers
- CAS
346726-68-9- PubChem CID
- 669588
- ChEMBL
CHEMBL1378442- EC Number
- 661-121-8
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H400
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H301-H400
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501
Suppliers
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Related reactions
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Compound notes
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