Methyl 1-methylpyrrole-2-carboxylate

HCID 142178

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Basic information

CAS: 37619-24-2
Standard SMILES: COC(=O)c1cccn1C
InChIKey: APHVGKYWHWFAQV-UHFFFAOYSA-N
Molecular formula: C7H9NO2
Average molar mass: 139.15 g/mol
Monoisotopic mass: 139.06332853

Names & identifiers

Preferred name: Methyl 1-methylpyrrole-2-carboxylate
IUPAC: methyl 1-methylpyrrole-2-carboxylate
English name: Methyl 1-methylpyrrole-2-carboxylate
Molecular formula: C7H9NO2
Molecular weight: 139.15

Names & synonyms

Methyl 1-methylpyrrole-2-carboxylate37619-24-2DTXSID70191055RefChem:157154DTXCID80113546805-524-0APHVGKYWHWFAQV-UHFFFAOYSA-NMethyl 1-methyl-1H-pyrrole-2-carboxylateMFCD000527472-methoxycarbonyl-1-methylpyrrolemethyl 1-methyl-pyrrole-2-carboxylateSY007289

Show more names

RARECHEM AL BF 0084methyl N-methylpyrrole-2-carboxylateMethyl-4-methylpyrrole-2-carboxylateMethyl 1-Methyl-2-pyrrolecarboxylateMethyl1-methylpyrrole-2-carboxylate,98%

7X-04191-METHYLPYRROLE-2-CARBOXYLIC ACID METHYL ESTERMethyl1-methyl-1H-pyrrole-2-carboxylateSCHEMBL8666071-Methyl-1H-pyrrole-2-carboxylic acid methyl esterSCHEMBL2379917SCHEMBL16031753(8-NITRO-IMIDAZO[1,2-A]PYRIDIN-2-YL)-ACETICACID

Database identifiers

CAS: 37619-24-2
PubChem CID: 142178
DTXSID: DTXSID70191055
EC Number: 805-524-0
Nikkaji: J565.184K

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 31.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 80 °C · 80 °C (sublm)(Press: 0.2 Torr)
Boiling point: 96 · 96-98°C 15mm
Density: 1.07 · 1.07±0.1 g/cm3(Predicted)
refractive index: 1.522 · 1.5220
Flash point: 96 · 96-98°C/15mm
storage temp.: Sealed in dry,Room Temperature
pka: -7.04 · -7.04±0.70(Predicted)
Appearance: Light yellow to brown Liquid
Water Solubility: Slightly soluble in water.
BRN: 116477 · 116477
CAS DataBase Reference: 37619 · 37619-24-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.