Ethyl 4-nitrophenylacetate

HCID 79517

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Basic information

CAS: 5445-26-1
Standard SMILES: CCOC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIKey: DWDRNKYLWMKWTH-UHFFFAOYSA-N
Molecular formula: C10H11NO4
Average molar mass: 209.2 g/mol
Monoisotopic mass: 209.06880783

Names & identifiers

Preferred name: Ethyl 4-nitrophenylacetate
IUPAC: ethyl 2-(4-nitrophenyl)acetate
English name: Ethyl 4-nitrophenylacetate
Molecular formula: C10H11NO4
Molecular weight: 209.2

Names & synonyms

Ethyl 4-nitrophenylacetateRefChem:562877226-646-55445-26-1ethyl 2-(4-nitrophenyl)acetateEthyl (4-nitrophenyl)acetateEthyl p-nitrophenylacetateBenzeneacetic acid, 4-nitro-, ethyl esterEthyl 4-nitrobenzeneacetate4-Nitrophenylacetic Acid Ethyl EsterMFCD00017046Ethyl-4-nitrophenylacetate

Show more names

2-(4-nitrophenyl)butanoateEthyl4-Nitrophenylacetate>4-NitrophenylaceticacidethyleEthyl 4-nitrophenylacetate,98%4-nitro-benzeneaceticaciethylester

Acetic acid, (p-nitrophenyl)-, ethyl esterNSC-219861-[2-(Acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-5-bromo-1-(2-fluorophenyl)-2-pentanone (2Z)-2-Butenedioateethyl {4-nitrophenyl}acetate4-Nitro-benzeneacetic Acid Ethyl Ester; (4-Nitrophenyl)acetic Acid Ethyl Ester; Ethyl 2-(4-Nitrophenyl)acetate; NSC 21986;p-nitrophenylacetic acid ethyl esterEINECS 226-646-5NSC 21986

Database identifiers

CAS: 5445-26-1
PubChem CID: 79517
DTXSID: DTXSID7063891
UNII: 2MK8FK7CSQ
EC Number: 226-646-5
Nikkaji: J149.863K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 228

Physicochemical properties

Melting point: 61 · 61-65 °C
Boiling point: 196 °C · 196 °C / 20mmHg
Density: 1.2944 · 1.2944 (rough estimate)
refractive index: 1.54 · 1.5400 (estimate)
storage temp.: Refrigerator
solubility: Chloroform, DMSO
form: Solid
color: Tan
BRN: 2053241 · 2053241
CAS DataBase Reference: 5445 · 5445-26-1(CAS DataBase Reference)
NIST Chemistry Reference: -4 · Ethyl-4-nitrophenylacetate(5445-26-1)
EPA Substance Registry System: 4 · Benzeneacetic acid, 4-nitro-, ethyl ester (5445-26-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Safety Statements: 24 · 24/25
TSCA: TSCA listed
HS Code: 29163990 · 29163990