Diethyl 4,5-Imidazoledicarboxylate - CAS 1080-79-1

Name: Diethyl 4,5-Imidazoledicarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002167
Product Name:	Diethyl 4,5-Imidazoledicarboxylate
CAS:	1080-79-1
Synonyms:	1H-imidazole-4,5-dicarboxylic acid diethyl ester; diethyl 1H-imidazole-4,5-dicarboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	diethyl 1H-imidazole-4,5-dicarboxylate
Description:	Diethyl 4,5-Imidazoledicarboxylate (CAS# 1080-79-1) is a useful research chemical.
Molecular Weight:	212.20
Molecular Formula:	C9H12N2O4
Canonical SMILES:	CCOC(=O)C1=C(N=CN1)C(=O)OCC
InChI:	InChI=1S/C9H12N2O4/c1-3-14-8(12)6-7(11-5-10-6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)
InChI Key:	NQKKUSLBNWTXQI-UHFFFAOYSA-N
Boiling Point:	357.9 °C at 760 mmHg
Density:	1.249 g/cm³
LogP:	0.76310

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021055326-A1	Azole-fused pyridazin-3(2h)-one derivatives	20190916
CN-110283306-B	Polyester resin for semi-matte powder coating and preparation method and application thereof	20190701
WO-2016051181-A1	4h-imidazo[1,5-a]indole derivatives and their use as indoleamine 2,3-dioxygenase (ido) and/or tryptophan 2,3-dioxygenase (td02) modulators	20141001
JP-6285539-B2	Coloring composition, cured film, color filter, method for producing color filter, solid-state imaging device, and image display device	20140331
JP-WO2015152051-A1	Coloring composition, cured film, color filter, method for producing color filter, solid-state imaging device, and image display device	20140331

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.07970687
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.07970687
Rotatable Bond Count:	6
Topological Polar Surface Area:	81.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2