Methyl 3-(1H-pyrrol-2-yl)propanoate

Basic Information

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CAS Number

69917-80-2

Molecular Formula

C8H11NO2

Molecular Weight

153.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

251 ºC

Density

1.117

Flash Point

105 ºC

SMILES

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COC(=O)CCC1=CC=CN1

InChI

InChI=1S/C8H11NO2/c1-11-8(10)5-4-7-3-2-6-9-7/h2-3,6,9H,4-5H2,1H3

InChIKey

UBOXXEGSGUIRAJ-UHFFFAOYSA-N

LogP

1.1202999999999999

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

136

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

A851887
A1-01277
2-(2-Methoxycarbonylethyl)pyrrole
METHYL-3-(2-PYRROLYL)PROPIONATE
UBOXXEGSGUIRAJ-UHFFFAOYSA-N
69917-80-2
1H-Pyrrole-2-propanoic acid, methyl ester
Methyl 3-(1H-pyrrol-2-yl)propanoate
Methyl 3-(1H-pyrrol-2-yl)propanoate, AldrichCPR
FT-0672112
DS-18213
RB3088
CS-W008195
SCHEMBL8589362
SY047286
AM62723
2-(2-Methoxycarbonylethyl)pyrrole;Methyl 3-(1H-pyrrol-2-yl)propanoate
3-(1H-Pyrrol-2-yl)-propionic acid methyl ester
Methyl 3-(2-Pyrrolyl)propionate
AKOS006326888
SB62013
METHYL 3-(2-PYRROLYL)PROPANOATE
Methyl3-(1H-pyrrol-2-yl)propanoate
METHYL 3-(2-PYRROLYL)PROPANOATE pound>>METHYL 3-(1H-PYRROL-2-YL)PROPANOATE
DTXSID40562819
1H-Pyrrole-2-propanoic Acid Methyl Ester
SCHEMBL12728960
MFCD09841003
Methyl 3-(2-Pyrrolyl)propanoate
3-(1H-pyrrol-2-yl)-propionic acid methyl ester
Methyl 3-(2-pyrrolyl)propionate [ 2-(2-methoxycarbonylethyl)pyrrole]

MDL Number

MFCD09841003

Customs Code

2933990090

FAQ

What is Methyl 3-(1H-pyrrol-2-yl)propanoate (CAS: 69917-80-2)?

Methyl 3-(1H-pyrrol-2-yl)propanoate is an organic compound with the molecular formula C7H10NO2. It is a colorless liquid with a pyrrole-like odor. This compound is used in pharmaceuticals and fragrance industries due to its chemical structure and properties.

What are the main uses of Methyl 3-(1H-pyrrol-2-yl)propanoate (CAS: 69917-80-2)?

Methyl 3-(1H-pyrrol-2-yl)propanoate is primarily used as a fragrance ingredient and in the synthesis of other compounds. It is also utilized in pharmaceutical formulations for its aromatic and structural characteristics.

Is Methyl 3-(1H-pyrrol-2-yl)propanoate (CAS: 69917-80-2) safe?

Methyl 3-(1H-pyrrol-2-yl)propanoate is generally considered safe when handled properly. However, it is flammable and should be stored in a cool, dry place away from heat and sources of ignition. Protective gloves and goggles are recommended when handling the compound.

How should Methyl 3-(1H-pyrrol-2-yl)propanoate (CAS: 69917-80-2) be stored?

Methyl 3-(1H-pyrrol-2-yl)propanoate should be stored in a cool, dry place, protected from direct sunlight and heat. It should be kept in a tightly sealed container to prevent moisture absorption. Avoid contact with incompatible materials such as strong acids or bases.