Ethyl 1-methylpyrrole-2-carboxylate

HCID 90112CAS 23466-27-5
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cccn1C
InChIKey
IIKHONWHFIKUQV-UHFFFAOYSA-N
Molecular formula
C8H11NO2
Average molar mass
153.18 g/mol
Monoisotopic mass
153.07897859

Names & identifiers

Preferred name
Ethyl 1-methylpyrrole-2-carboxylate
IUPAC
ethyl 1-methylpyrrole-2-carboxylate
English name
ethyl 1-methylpyrrole-2-carboxylate
Molecular formula
C8H11NO2
Molecular weight
153.18

Names & synonyms

ethyl 1-methyl-1h-pyrrole-2-carboxylate23466-27-5Ethyl 1-methylpyrrole-2-carboxylateEINECS 245-677-5DTXSID20178018RefChem:593356DTXCID50100509245-677-5MFCD021795731H-Pyrrole-2-carboxylicacid, 1-methyl-, ethyl ester1H-Pyrrole-2-carboxylic acid, 1-methyl-, ethyl esterCEE8M2FJ64
Show more names
1-methylpyridine-2-ethyl formateEthyl 1-methyl-1H-pyrrole-2-carboxylate ,97%
1-Methyl-1H-pyrrole-2-carboxylic acid ethyl esterSCHEMBL2399420Ethyl 1-methyl-2-pyrrolecarboxylateAKOS006241755AS-8404SB62695ethyl1-methyl-1h-pyrrole-2-carboxylateSY067922

Database identifiers

CAS
23466-27-5
PubChem CID
90112
DTXSID
DTXSID20178018
UNII
CEE8M2FJ64
EC Number
245-677-5
Nikkaji
J228.972E

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
31.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Boiling point
94 °C · 94 °C(Press: 18 Torr)
Density
1.05 · 1.05±0.1 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
pka
-6.93 · -6.93±0.70(Predicted)
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
7 · GHS07

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
29339900
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
Hazard statements
H315-H319-H335
Precautionary statements
P302+P352-P305+P351+P338-P362+P364

Chemistry & industry

Upstream & downstream products

Suppliers24 total

荟达医药科技(上海)有限公司15173502222 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
ShanghaiFineBiotechCoLtd+8618717800556 18717800556 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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