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Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate structure

CAS No:
2199-52-2
Formula:
C9H13NO2
Chemical Name:
Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
Synonyms:
1H-Pyrrole-3-carboxylic acid,2,5-dimethyl-,ethyl ester;Pyrrole-3-carboxylic acid,2,5-dimethyl-,ethyl ester;Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate;Ethyl 2,5-dimethylpyrrole-3-carboxylate;2,5-Dimethylpyrrole-3-carboxylic acid ethyl ester;NSC 19437;2,5-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

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Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate Basic Attributes

Molecular Weight：

167.21

Exact Mass：

167.21

NSC Number：

19437

DSSTox ID：

DTXSID40176415

HScode：

2933990090

Characteristics

PSA：

42.1

XLogP3：

1.80820

Density：

1.08g/cm3

Melting Point：

156-157 °C

Boiling Point：

307℃

Flash Point：

140℃

Refractive Index：

1.516

Water Solubility：

24.7 [ug/mL]

Vapor Pressure：

0.000745mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:167.20
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:167.094628657
Monoisotopic Mass:167.094628657
Topological Polar Surface Area:42.1
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

SDS

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