Ethyl 3-(4-nitrophenyl)-2-propenoate

HCID 95370

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Basic information

CAS: 953-26-4
Standard SMILES: CCOC(=O)C=Cc1ccc([N+](=O)[O-])cc1
InChIKey: PFBQVGXIMLXCQB-UHFFFAOYSA-N
Molecular formula: C11H11NO4
Average molar mass: 221.21 g/mol
Monoisotopic mass: 221.06880783

Names & identifiers

Preferred name: Ethyl 3-(4-nitrophenyl)-2-propenoate
IUPAC: ethyl 3-(4-nitrophenyl)prop-2-enoate

Names & synonyms

953-26-4RefChem:343205Ethyl 3-(4-nitrophenyl)-2-propenoateEthyl 3-(4-nitrophenyl)acrylate4-Nitrocinnamic Acid Ethyl Esterethyl 3-(4-nitrophenyl)prop-2-enoateMFCD00007380NSC 4697EINECS 213-463-01-09-00-00247 (Beilstein Handbook Reference)Cinnamic ap-Nitrozimtsaureathylester

Show more names

Z53861742p-nitro cinnamic ethyl esterSCHEMBL845971PFBQVGXIMLXCQB-UHFFFAOYSA-NAKOS017265229Ethyl-3-(4-nitrophenyl)prop-2-enoateSY0785373-(4-nitrophenyl)acrylic acid ethyl ester

Database identifiers

CAS: 953-26-4
PubChem CID: 95370
DTXSID: DTXSID8061347
EC Number: 213-463-0

Properties

Computed structural propertiesFilling in

XLogP: 2.8
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: 274

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory Information2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)