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1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2,4-diethyl ester

1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2,4-diethyl ester structure

CAS No:
2436-79-5
Formula:
C12H17NO4
Chemical Name:
1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2,4-diethyl ester
Synonyms:
1H-Pyrrole-2,4-dicarboxylic acid,3,5-dimethyl-,2,4-diethyl ester;Pyrrole-2,4-dicarboxylic acid,3,5-dimethyl-,diethyl ester;1H-Pyrrole-2,4-dicarboxylic acid,3,5-dimethyl-,diethyl ester;2,4-Dimethyl-3,5-dicarbethoxypyrrole;Diethyl 3,5-dimethylpyrrole-2,4-dicarboxylate;Knorr's pyrrole;Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate;NSC 2046;NSC 5685;3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester;2,4-Diethoxycarbonyl-3,5-dimethylpyrrole;3,5-Bis(ethoxycarbonyl)-2,4-dimethyl-1(H)-pyrrole;2,4-Diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;Diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

light yellow to light pink

1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2,4-diethyl ester Basic Attributes

Molecular Weight：

239.268

Exact Mass：

239.27

EC Number：

219-431-2

NSC Number：

5685|2046

HScode：

29339900

Characteristics

PSA：

68.39000

XLogP3：

2.2

Appearance：

Light yellow to light pink solid.

Density：

1.051 g/cm³ @ Temp: 25 °C

Melting Point：

126-130 °C

Boiling Point：

140-142 °C @ Press: 7 Torr

Flash Point：

179.0±26.5 °C

Refractive Index：

1.516

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

4.85E-06mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S24/25

Marks：

Xi: Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Computed Properties

Molecular Weight:239.27
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:239.11575802
Monoisotopic Mass:239.11575802
Topological Polar Surface Area:68.4
Heavy Atom Count:17
Complexity:292
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2,4-diethyl ester

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2,4-diethyl ester

SDS

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