4-Methyl-5-imidazolecarboxaldehyde - CAS 68282-53-1

Catalog:	BB033510
Product Name:	4-Methyl-5-imidazolecarboxaldehyde
CAS:	68282-53-1
Synonyms:	5-methyl-1H-imidazole-4-carbaldehyde

Technical Data

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Patents

Literatures

Computed Properties

IUPAC Name:	5-methyl-1H-imidazole-4-carbaldehyde
Description:	4-Methyl-5-imidazolecarboxaldehyde (CAS# 68282-53-1) is a useful research chemical.
Molecular Weight:	110.11
Molecular Formula:	C5H6N2O
Canonical SMILES:	CC1=C(N=CN1)C=O
InChI:	InChI=1S/C5H6N2O/c1-4-5(2-8)7-3-6-4/h2-3H,1H3,(H,6,7)
InChI Key:	KMWCSNCNHSEXIF-UHFFFAOYSA-N
Boiling Point:	362.8 °C at 760 mmHg
Melting Point:	165-166 °C
Purity:	95 %
Density:	1.238 g/cm³
Appearance:	White to beige powder
MDL:	MFCD00173728
LogP:	0.53060

Publication Number	Title	Priority Date
CN-113376373-A	Immunoassay carrier and preparation method and application thereof	20210629
CN-112973636-A	Metal-organic framework material for adsorbing ethylene glycol and preparation method thereof	20191212
CN-111096476-A	Composite material, preparation method and application thereof	20191120
EP-3819026-A1	Water purification method	20191106
WO-2021089738-A1	Water purification method	20191106

PMID	Publication Date	Title	Journal
19694455	20090921	Structures and spin states of bis(tridentate)-type mononuclear and triple helicate dinuclear iron(II) complexes of imidazole-4-carbaldehyde azine	Inorganic chemistry
16474886	20060227	Synthesis and characterization of manganese(II) and iron(III) d5 tripodal imidazole complexes. Effect of oxidation state, protonation state and ligand conformation on coordination number and spin state	Dalton transactions (Cambridge, England : 2003)

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Imidazoles

[152536-39-5]
1,4,5-Trimethyl-2-phenyl-1H-imidazole
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[97403-83-3]
3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
[64038-58-0]
1-Cyclohexyl-1,3-dihydro-2H-imidazole-2-thione
[1011398-11-0]
Ethyl 2-(1H-imidazol-1-yl)butanoate
[944906-76-7]
Ethyl 4-bromo-1H-imidazole-5-carboxylate

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

Complexity:	94.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.048012819
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3