Ethyl 2-pyridylacetate

HCID 75960

Notes Reactions

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Basic information

CAS: 2739-98-2
Standard SMILES: CCOC(=O)Cc1ccccn1
InChIKey: IUDKTVXSXWAKJO-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: Ethyl 2-pyridylacetate
IUPAC: ethyl 2-pyridin-2-ylacetate
English name: Ethyl 2-pyridylacetate
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

Ethyl 2-pyridylacetate2739-98-2DTXSID90181817EINECS 220-365-1NSC 82347RefChem:594517DTXCID30104308220-365-1ethyl 2-(pyridin-2-yl)acetateEthyl pyridine-2-acetateethyl 2-pyridin-2-ylacetateMFCD00006359

Show more names

2-Pyridyl ethyl acetateEthyl2-Pyridylacetate>Ethyl2-pyridylacetate,98%Ethyl 2-pyridylacetate 98%Ethyl 2-Pyridylacetate,>97%

2-Pyridineacetic Acid Ethyl Ester2-Pyridineacetic acid, ethyl esterethyl 2-(2-pyridyl)acetateEthyl (pyridin-2-yl)acetateEthyl 2-pyridineacetate2-Pyridylacetic Acid Ethyl Esterethyl pyrid-2-ylacetate3YNQ9EN6RL

Database identifiers

CAS: 2739-98-2
PubChem CID: 75960
DTXSID: DTXSID90181817
UNII: 3YNQ9EN6RL
EC Number: 220-365-1
Nikkaji: J157K

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 147

Physicochemical properties

Melting point: 136 · 136-137 °C
Boiling point: 70 °C/0.05 · 70 °C/0.05 mmHg (lit.)
Density: 1.084 g/mL · 1.084 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.497(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in DCM, Methanol
pka: 4.45 · 4.45±0.12(Predicted)
form: Liquid
color: Clear yellow
Water Solubility: Soluble in water.
BRN: 123817 · 123817
InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChIKey: IUDKTVXSXWAKJO-UHFFFAOYSA-N
SMILES: C1(CC(OCC)=O)=NC=CC=C1
CAS DataBase Reference: 2739 · 2739-98-2(CAS DataBase Reference)
FDA UNII: 3 YNQ9EN6RL · 3YNQ9EN6RL
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
HS Code: 29333999 · 29333999
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29333999
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36-37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesEthyl 2-pyridineacetate is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.