Ethyl 2-(2-phenylhydrazinylidene)propanoate
Basic information
- CAS
13732-33-7- Standard SMILES
CCOC(=O)C(C)=NNc1ccccc1- InChIKey
NRHLGLQBPHEKMF-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- Ethyl 2-(2-phenylhydrazinylidene)propanoate
- IUPAC
- ethyl 2-(phenylhydrazinylidene)propanoate
- English name
- (E)-ethyl 2-(2-phenylhydrazono)propanoate
- Molecular formula
- C11H14N2O2
- Molecular weight
- 206.24
Names & synonyms
ethyl 2-(2-phenylhydrazinylidene)propanoateDTXSID50298036RefChem:342401DTXCID40249173ethyl 2-(phenylhydrazinylidene)propanoateEthyl 2-(2-phenylhydrazono)propanoate4792-54-5(Z)-Ethyl 2-(2-phenylhydrazono)propanoateethyl 2-(phenylhydrazono)propanoateMaybridge1_004135ethyl pyruvate phenylhydrazoneSCHEMBL11753054
Show more names
(E)-ethyl 2-(2-phenylhydrazono)propanoate2-(PHENYL-HYDRAZONO)-PROPIONIC ACID ETHYL ESTEREthyl (E)-2-(2-phenylhydrazineylidene) propanoatePropanoic acid, 2-(2-phenylhydrazinylidene)-, ethyl ester, (2E)-
Database identifiers
- CAS
13732-33-7、4792-54-5- PubChem CID
- 274347
- DTXSID
DTXSID50298036- EC Number
- 150-461-8
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 117 · 117-118 °C
- Boiling point
- 295 · 295.0±23.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 12.3 · 12.30±0.10(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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…