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Ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate structure

CAS No:
2199-64-6
Formula:
C10H13NO3
Chemical Name:
Ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Synonyms:
1H-Pyrrole-2-carboxylic acid,4-formyl-3,5-dimethyl-,ethyl ester;Pyrrole-2-carboxylic acid,4-formyl-3,5-dimethyl-,ethyl ester;Ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate;Ethyl 4-formyl-3,5-dimethylpyrrole-2-carboxylate;NSC 13665

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Ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Basic Attributes

Molecular Weight：

195.215

Exact Mass：

195.22

NSC Number：

13665

DSSTox ID：

DTXSID20176418

HScode：

2933990090

Characteristics

PSA：

59.16000

XLogP3：

2.35

Density：

1.2±0.1 g/cm3

Melting Point：

145 °C

Boiling Point：

347.8±42.0 °C at 760 mmHg

Flash Point：

164.1±27.9 °C

Refractive Index：

1.556

Vapor Pressure：

5.25E-05mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:195.21
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:195.08954328
Monoisotopic Mass:195.08954328
Topological Polar Surface Area:59.2
Heavy Atom Count:14
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

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