Basic information
- CAS
63745-97-1- Standard SMILES
CCOC(=O)CC(=Nc1cc([N+](=O)[O-])ccc1Cl)NNc1c(Cl)cc(Cl)cc1Cl- InChIKey
IMFDUANUXOSYEE-UHFFFAOYSA-N- Molecular formula
- C17H14Cl4N4O4
- Average molar mass
- 480.1 g/mol
- Monoisotopic mass
- 477.976916
Names & identifiers
- Preferred name
- Ethyl 3-[(2-chloro-5-nitrophenyl)imino]-3-[2-(2,4,6-trichlorophenyl)hydrazino]propanoate
- IUPAC
- ethyl 3-(2-chloro-5-nitrophenyl)imino-3-[2-(2,4,6-trichlorophenyl)hydrazinyl]propanoate
- English name
- Ethyl 3-((2-chloro-5-nitrophenyl)imino)-2,4,6-tri-Cl-Ph)hydrazino)propionate
- Molecular formula
- C17H14Cl4N4O4
- Molecular weight
- 480.13
Names & synonyms
SCHEMBL11664476DTXSID40886305IMFDUANUXOSYEE-UHFFFAOYSA-NAKOS024435182ethyl 3-[(2-chloro-5-nitrophenyl)imino]-3-[2-(2,4,6-trichlorophenyl)hydrazino]propanoateEthyl 3-[(2-chloro-5-nitrophenyl)imino]-3-[2-(2,4,6-trichlorophenyl)hydrazin-1-yl]propanoateEthyl 3-((2-chloro-5-nitrophenyl)imino)-2,4,6-tri-Cl-Ph)hydrazino)propionatePropanoic acid, 3-[(2-chloro-5-nitrophenyl)imino]-3-[2-(2,4,6-trichlorophenyl)hydrazinyl]-, ethyl ester
Database identifiers
- CAS
63745-97-1- PubChem CID
- 4068367
- DTXSID
DTXSID40886305- Nikkaji
- J453.208B
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 594
Physicochemical properties
- EPA Substance Registry System
- 3 · Propanoic acid, 3-[(2-chloro-5-nitrophenyl)amino]-3-[(2,4,6-trichlorophenyl)hydrazono]-, ethyl ester (63745-97-1)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…