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1H-Pyrazole-3,5-dicarboxylic acid, 3,5-diethyl ester

1H-Pyrazole-3,5-dicarboxylic acid, 3,5-diethyl ester structure

CAS No:
37687-24-4
Formula:
C9H12N2O4
Chemical Name:
1H-Pyrazole-3,5-dicarboxylic acid, 3,5-diethyl ester
Synonyms:
1H-Pyrazole-3,5-dicarboxylic acid,3,5-diethyl ester;1H-Pyrazole-3,5-dicarboxylic acid,diethyl ester;3,5-(Diethoxycarbonyl)-1H-pyrazole;Diethyl pyrazole-3,5-dicarboxylate;3,5-Pyrazoledicarboxylic acid diethyl ester;NSC 97126;Diethyl 1H-pyrazole-3,5-dicarboxylate;3,5-Diethyl 1H-pyrazole-3,5-dicarboxylate
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1H-Pyrazole-3,5-dicarboxylic acid, 3,5-diethyl ester Basic Attributes

Molecular Weight：

212.2

Exact Mass：

212.20

NSC Number：

97126

DSSTox ID：

DTXSID00191124

Characteristics

PSA：

81.3 Å²

Density：

1.249

Melting Point：

54-55 °C @ Solvent: Hexane

Boiling Point：

352.03°C (rough estimate)

Refractive Index：

1.5373 (estimate)

PKA：

8.08±0.10

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

diethyl 1H-pyrazole-3,5-dicarboxylate

Computed Properties

Molecular Weight:212.20
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:212.07970687
Monoisotopic Mass:212.07970687
Topological Polar Surface Area:81.3
Heavy Atom Count:15
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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DIETHYL 3,5-PYRAZOLEDICARBOXYLATEDiethyl pyrazole-3,5-dicarboxylate

CAS No.: 37687-24-4

Grade: Industrial Grade

Content: 98%

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Guide of 1H-Pyrazole-3,5-dicarboxylic acid, 3,5-diethyl ester

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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