Ethyl 2-cyano-3-[(4-iodophenyl)amino]prop-2-enoate
Basic information
- CAS
709637-42-3- Standard SMILES
CCOC(=O)/C(C#N)=C/Nc1ccc(I)cc1- InChIKey
RDUQQNNXNJINGT-CMDGGOBGSA-N- Molecular formula
- C12H11IN2O2
- Average molar mass
- 342.13 g/mol
- Monoisotopic mass
- 341.98653
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-[(4-iodophenyl)amino]prop-2-enoate
- IUPAC
- ethyl (E)-2-cyano-3-(4-iodoanilino)prop-2-enoate
Names & synonyms
709637-42-3ethyl 2-cyano-3-[(4-iodophenyl)amino]prop-2-enoateethyl (2E)-2-cyano-3-[(4-iodophenyl)amino]prop-2-enoateethyl (E)-2-cyano-3-(4-iodoanilino)prop-2-enoateSCHEMBL3882978RDUQQNNXNJINGT-CMDGGOBGSA-NEN300-52897G35741ethyl2-cyano-3-[(4-iodophenyl)amino]prop-2-enoateETHYL 2-CYANO-3-((4-IODOPHENYL)AMINO)ACRYLATEZ115487276(E)-2-cyano-3-(4-iodo-phenylamino)-acrylic acid ethyl ester
Database identifiers
- CAS
709637-42-3- PubChem CID
- 6013301
- EC Number
- 174-116-6
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 338
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%)
Related reactions
1 records
Compound notes
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