Methyl 2-pyridylacetate

HCID 74264

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Basic information

CAS: 1658-42-0
Standard SMILES: COC(=O)Cc1ccccn1
InChIKey: ORAKNQSHWMHCEY-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: Methyl 2-pyridylacetate
IUPAC: methyl 2-pyridin-2-ylacetate
English name: METHYL 2-PYRIDYLACETATE
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

Methyl 2-pyridylacetate1658-42-02-Pyridineacetic acid, methyl esterEINECS 216-759-8DTXSID90168027NSC 72093RefChem:157385DTXCID8090518216-759-8ORAKNQSHWMHCEY-UHFFFAOYSA-Nmethyl 2-(pyridin-2-yl)acetate2-Pyridylacetic Acid Methyl Ester

Show more names

METHYLPYRIDYL-2 ACETATEMethyl2-Pyridylacetate>METHYL PYRIDIN-2-YLACETATEMethyl 2-pyridylacetate,98%

methyl 2-pyridin-2-ylacetatemethyl 2-(2-pyridyl)acetate2-Pyridineacetic Acid Methyl EsterMETHYL PYRIDINE-2-ACETATEMFCD00006358Methyl 2-PyridineacetateMethyl 2-pyridinylacetate2-[(Methoxycarbonyl)methyl]pyridine

Database identifiers

CAS: 1658-42-0
PubChem CID: 74264
DTXSID: DTXSID90168027
UNII: 237A7LB4JC
EC Number: 216-759-8
Nikkaji: J149.937H

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Boiling point: 103 °C/0.5 · 103 °C/0.5 mmHg (lit.)
Density: 1.119 g/mL · 1.119 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.506(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
pka: 4.35 · 4.35±0.12(Predicted)
color: Light yellow to Amber to Dark green
InChI: 1S/C8H9NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h2-5H,6H2,1H3
InChIKey: ORAKNQSHWMHCEY-UHFFFAOYSA-N
SMILES: COC(=O)Cc1ccccn1
CAS DataBase Reference: 1658 · 1658-42-0
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
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29333990 · 29333990
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 (97.7%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.