Basic information
- CAS
1570-45-2- Standard SMILES
CCOC(=O)c1ccncc1- InChIKey
MCRPKBUFXAKDKI-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- Ethyl isonicotinate
- IUPAC
- ethyl pyridine-4-carboxylate
- English name
- Ethyl isonicotinate
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
ETHYL ISONICOTINATE1570-45-24-Pyridinecarboxylic acid, ethyl ester4-CarbethoxypyridineEthyl 4-pyridinecarboxylateIsonicotinic acid, ethyl ester4-CarboethoxypyridineONG7XTI4BLgamma-Pyridinecarboxylic acid ethyl esterNSC-6854DTXSID6061789RefChem:138965
Show more names
ethyl isonicitateEthyl isonicotiteRARECHEM AL BI 0097Isonicotinoyl EthylTuobisite Impurity 6
DTXCID4035043216-379-2ethyl pyridine-4-carboxylate4-Picolinic acid ethyl esterIsonicotinic acid ethyl ester4-pyridinecarboxylic acid ethyl esterMFCD00006428.gamma.-Pyridinecarboxylic acid ethyl ester
Database identifiers
- CAS
1570-45-2- PubChem CID
- 15291
- DTXSID
DTXSID6061789- ChEMBL
CHEMBL2251613- UNII
- ONG7XTI4BL
- EC Number
- 216-379-2
- Nikkaji
- J27.968D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
Kovats Retention Index
1174.8
1201
1755
Physicochemical properties
- Melting point
- 23 °C · 23°C
- Boiling point
- 92 °C/8 · 92 °C/8 mmHg (lit.)
- Density
- 1.009 g/mL · 1.009 g/mL at 25 °C (lit.)
- vapor pressure
- 17.9 Pa · 17.9Pa at 25℃
- refractive index
- 20 · n20/D 1.501(lit.)
- Flash point
- 190 °F · 190 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 2 O: · H2O: soluble
- pka
- 1 · pK1:3.45(+1) (25°C)
- form
- Oil
- color
- Clear Colorless
- Water Solubility
- immiscible
- Merck
- 14 · 14,5187
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Status: Active Update: 04-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16612
4-Pyridinecarboxylic acid, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (91.5%)；Eye Irrit. 2 (100%)；STOT SE 3 (89.4%)
Regulatory information
Regulatory Information
Status: Active Update: 04-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16612
4-Pyridinecarboxylic acid, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Pyridinecarboxylic acid, ethyl ester: INACTIVE
Applications
UsesEthyl isonicotinate is an organic building block, used in the synthesis of various pharmaceutical and biologically active compounds. It is also a pyridine compound that is shown to be able to trap the thrips in the corp.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
57 records
Compound notes
Loading…