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Ethyl 1,6-dihydro-6-oxo-5-pyrimidinecarboxylate

Ethyl 1,6-dihydro-6-oxo-5-pyrimidinecarboxylate structure

CAS No:
4786-52-1
Formula:
C7H8N2O3
Chemical Name:
Ethyl 1,6-dihydro-6-oxo-5-pyrimidinecarboxylate
Synonyms:
5-Pyrimidinecarboxylic acid,1,6-dihydro-6-oxo-,ethyl ester;5-Pyrimidinecarboxylic acid,4-hydroxy-,ethyl ester;5-Pyrimidinecarboxylic acid,1,4-dihydro-4-oxo-,ethyl ester;Ethyl 1,6-dihydro-6-oxo-5-pyrimidinecarboxylate;5-Ethoxycarbonyl-4-hydroxypyrimidine;Ethyl 4-hydroxy-5-pyrimidinecarboxylate;Ethyl 3,4-dihydro-4-oxopyrimidine-5-carboxylate;NSC 69216;4-Hydroxypyrimidine-5-carboxylic acid ethyl ester;71133-17-0
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Ethyl 1,6-dihydro-6-oxo-5-pyrimidinecarboxylate Basic Attributes

Molecular Weight：

168.15

Exact Mass：

168.15

NSC Number：

69216

DSSTox ID：

DTXSID00197308

HScode：

2933599090

Characteristics

PSA：

67.8

XLogP3：

-0.3

Density：

1.3±0.1 g/cm3

Melting Point：

185-186 °C

Boiling Point：

270.6°C at 760 mmHg

Flash Point：

117.4±21.8 °C

Refractive Index：

1.545

Safety Information

Hazard category：

IRRITANT

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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:168.15
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:168.05349212
Monoisotopic Mass:168.05349212
Topological Polar Surface Area:67.8
Heavy Atom Count:12
Complexity:268
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 1,6-dihydro-6-oxo-5-pyrimidinecarboxylate

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