Basic information
- CAS
22316-45-6- Standard SMILES
CCOC(=O)CC(=O)N(c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-]- InChIKey
ZRYOWWCGEBQSKY-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O5
- Average molar mass
- 362.8 g/mol
- Monoisotopic mass
- 362.0669493
Names & identifiers
- Preferred name
- Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate
- IUPAC
- ethyl 3-(N-(5-chloro-2-nitrophenyl)anilino)-3-oxopropanoate
- English name
- ethyl 3-[(5-chloro-2-nitrophenyl)phenylamino]-3-oxopropionate
- Molecular formula
- C17H15ClN2O5
- Molecular weight
- 362.7644
Names & synonyms
22316-45-65'-Chloro-2'-nitro-N-phenyl-malonanilic Acid Ethyl EsterEthyl 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxopropionateFPS7SZ92TYEINECS 244-907-1Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilateDTXSID80176858ETHYL 3-[(5-CHLORO-2-NITROPHENYL)PHENYLAMINO]-3-OXOPROPIONATEMALONANILIC ACID, 5'-CHLORO-2'-NITRO-N-PHENYL-, ETHYL ESTERPropanoic acid, 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxo-, ethyl esterPropanoic acid, 3-[(5-chloro-2-nitrophenyl)phenylamino]-3-oxo-, ethyl esterRefChem:595518
Show more names
Clobazam Impurity 3Clobazam Impurity 9N-Carboethoxy acetyl 2-nitro-5-chlorodiphenylamine5'-Chloro-2'-nitro-N-phenylmalonanilic acid ethyl ester(3-(5-chloro-2-nitrophenyl)phenyl amino)-3-oxo ethyl ester3-[(5-Chloro-2-nitrophenyl)phenylamino]-3-oxopropanoic acid ethyl esterPropanoic acid,3-[(5-chloro-2-nitrophenyl)phenylamino]-3-oxo-, ethyl ester
DTXCID7099349244-907-1ethyl 3-(N-(5-chloro-2-nitrophenyl)anilino)-3-oxopropanoateEthyl 3-((5-chloro-2-nitrophenyl)(phenyl)aMino)-3-oxopropanoateEthyl 3-[(5-chloro-2-nitrophenyl)(phenyl)amino]-3-oxopropanoate3-[(5-Chloro-2-nitrophenyl)phenylamino]-3-oxo-propanoic Acid Ethyl Ester;UNII-FPS7SZ92TYSCHEMBL11554466
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Melting point
- 81 · 81-83°C
- Boiling point
- 581.9 · 581.9±50.0 °C(Predicted)
- Density
- 1.371 · 1.371±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.12 · 10.12±0.46(Predicted)
- color
- Yellow
- FDA UNII
- 7 SZ92TY · FPS7SZ92TY
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Ethyl 3-[(5-chloro-2-nitrophenyl)phenylamino]-3-oxopropionate (EC: 244-907-1)
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Usesethyl 3-[(5-chloro-2-nitrophenyl)phenylamino]-3-oxopropionate is a reagent used in the preparation of substituted Benzodiazepines.
Upstream & downstream products
Downstream products
Suppliers17 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
深圳市华先医药科技有限公司Q:3003761227 17722620669 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东梅奥华卫科技有限公司0531-88682301 18595278766 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
南京泽峰生物医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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