1,3,5-Trimethylpyrazole-4-carboxaldehyde - CAS 2644-93-1

Catalog:	BB019283
Product Name:	1,3,5-Trimethylpyrazole-4-carboxaldehyde
CAS:	2644-93-1
Synonyms:	1,3,5-trimethyl-4-pyrazolecarboxaldehyde; 1,3,5-trimethylpyrazole-4-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,3,5-trimethylpyrazole-4-carbaldehyde
Description:	1,3,5-Trimethylpyrazole-4-carboxaldehyde (CAS# 2644-93-1) is a useful research chemical.
Molecular Weight:	138.17
Molecular Formula:	C7H10N2O
Canonical SMILES:	CC1=C(C(=NN1C)C)C=O
InChI:	InChI=1S/C7H10N2O/c1-5-7(4-10)6(2)9(3)8-5/h4H,1-3H3
InChI Key:	HMTUBXVXHHITGO-UHFFFAOYSA-N
Boiling Point:	132 °C / 12 mmHg
Density:	1.09 g/cm³
Appearance:	Light yellow powder
MDL:	MFCD00159623
LogP:	0.84940

Publication Number	Title	Priority Date
CN-111233850-A	Naphthol derivative containing benzothiazole amino and heteroaryl, preparation method and application thereof	20200121
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US-2020299246-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
WO-2020186199-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
TW-202100515-A	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314

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Related Functional Groups

Carbonyl Compounds

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[55441-25-3]
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[70912-52-6]
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GHS Hazard Statement:	H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.079312947
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.079312947
Rotatable Bond Count:	1
Topological Polar Surface Area:	34.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5