Ethyl 3-(2-(4-nitrophenyl)hydrazinylidene)butanoate
Basic information
- CAS
63467-28-7- Standard SMILES
CCOC(=O)CC(C)=NNc1ccc([N+](=O)[O-])cc1- InChIKey
DNYHQQPGIDWVRQ-UHFFFAOYSA-N- Molecular formula
- C12H15N3O4
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.10625597
Names & identifiers
- Preferred name
- Ethyl 3-(2-(4-nitrophenyl)hydrazinylidene)butanoate
- IUPAC
- ethyl 3-[(4-nitrophenyl)hydrazinylidene]butanoate
- English name
- 3-[2-(4-Nitrophenyl)hydrazono]butyric acid ethyl ester
- Molecular formula
- C12H15N3O4
- Molecular weight
- 265.27
Names & synonyms
63467-28-7Ethyl 3-(2-(4-nitrophenyl)hydrazinylidene)butanoateEthyl 3-[2-(4-nitrophenyl)hydrazinylidene]butanoateRefChem:343118ethyl 3-[(4-nitrophenyl)hydrazinylidene]butanoateDNYHQQPGIDWVRQ-UHFFFAOYSA-NDB-3150163-[2-(4-Nitrophenyl)hydrazono]butyric acid ethyl ester3-[2-(4-Nitrophenyl)hydrazono]butanoic acid ethyl ester3-((4-NITRO-PHENYL)-HYDRAZONO)-BUTYRIC ACID ETHYL ESTERButanoic acid, 3-[2-(4-nitrophenyl)hydrazinylidene]-, ethyl ester
Database identifiers
- CAS
63467-28-7- PubChem CID
- 113259
- DTXSID
DTXSID1069877- EC Number
- 651-685-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 118 °C · 118 °C
- Boiling point
- 399.3 · 399.3±52.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 14.45 · 14.45±0.10(Predicted)
- EPA Substance Registry System
- 3 · Butanoic acid, 3-[(4-nitrophenyl)hydrazono]-, ethyl ester (63467-28-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoic acid, 3-[2-(4-nitrophenyl)hydrazinylidene]-, ethyl ester: INACTIVE
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Related reactions
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Compound notes
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