Ethyl 2-Methylpyrrole-3-carboxylate - CAS 936-12-9

Catalog:	BB040987
Product Name:	Ethyl 2-Methylpyrrole-3-carboxylate
CAS:	936-12-9
Synonyms:	2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester; ethyl 2-methyl-1H-pyrrole-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-methyl-1H-pyrrole-3-carboxylate
Description:	Ethyl 2-Methylpyrrole-3-carboxylate (CAS# 936-12-9) is a useful research chemical.
Molecular Weight:	153.18
Molecular Formula:	C8H11NO2
Canonical SMILES:	CCOC(=O)C1=C(NC=C1)C
InChI:	InChI=1S/C8H11NO2/c1-3-11-8(10)7-4-5-9-6(7)2/h4-5,9H,3H2,1-2H3
InChI Key:	DJDPDVJJTIGJTE-UHFFFAOYSA-N
Boiling Point:	289.7 °C at 760 mmHg
Density:	1.106 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00101795
LogP:	1.49980

Publication Number	Title	Priority Date
WO-2021202536-A1	Improved wavelength conversion film	20200330
WO-2021188392-A1	Boron-containing cyclic emissive compounds and color conversion film containing the same	20200320
WO-2020210761-A1	Boron-containing cyclic emissive compounds and color conversion film containing the same	20190412
TW-202102647-A	Boron-containing cyclic emissive compounds and color conversion film containing the same	20190412
CN-111205310-A	Heterocyclic fused pyrimidine derivative, and pharmaceutical composition and application thereof	20181122

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.078978594
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.078978594
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3