CAS 5396-71-4 Ethyl-m-nitrocinnamate (HCID 94827)

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Basic information

CAS: 5396-71-4
Standard SMILES: CCOC(=O)C=Cc1cccc([N+](=O)[O-])c1
InChIKey: QZEPRSLOWNHADS-UHFFFAOYSA-N
Molecular formula: C11H11NO4
Average molar mass: 221.21 g/mol
Monoisotopic mass: 221.06880783

Names & identifiers

Preferred name: Ethyl-m-nitrocinnamate
IUPAC: ethyl 3-(3-nitrophenyl)prop-2-enoate
English name: Ethyl 3-nitrocinnamate
Molecular formula: C11H11NO4
Molecular weight: 221.21

Names & synonyms

Ethyl 3-nitrocinnamicacidEthyl-m-nitrocinnamateethyl 3-(3-nitrophenyl)prop-2-enoateEthyl trans-3-nitrocinnamate2-Propenoic acid, 3-(3-nitrophenyl)-, ethyl ester, (2E)-ethyl m-nitrocinnamateSCHEMBL1613933QZEPRSLOWNHADS-UHFFFAOYSA-NDTXSID201035682AKOS017265443SY0761083-(3-nitrophenyl)acrylic acid ethyl ester

Show more names

NSC 4346Ethyl 3-nitrocinnamateEthyl 3-(3-nitrophenyl)acrylate3-Nitrocinnamic acid ethyl esterM-NITROCINNAMIC ACID ETHYL ESTERETHYL 3-NITROCINNAMATE USP/EP/BP(E)-ethyl 3-(3-nitrophenyl)acrylateCinnamic acid, m-nitro-, ethyl ester3-Nitrobenzeneacrylic acid ethyl ester

CS-00362243-(3-nitro-phenyl)-acrylic acid ethyl ester

Database identifiers

CAS: 5396-71-4
PubChem CID: 94827
DTXSID: DTXSID201035682

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 282

Physicochemical properties

Melting point: 74 · 74-76°C
Boiling point: 347 ℃ · 347℃
Density: 1.237 · 1.237
Flash point: 155 ℃ · 155℃
storage temp.: Sealed in dry,Room Temperature
BRN: 2618102 · 2618102
CAS DataBase Reference: 5396 · 5396-71-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety Statements: 24 · 24/25
HS Code: 29163990 · 29163990