Methyl pyridazine-4-carboxylate - CAS 34231-77-1

Catalog:	BB022017
Product Name:	Methyl pyridazine-4-carboxylate
CAS:	34231-77-1
Synonyms:	methyl pyridazine-4-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl pyridazine-4-carboxylate
Description:	Methyl pyridazine-4-carboxylate (CAS# 34231-77-1) is a useful research chemical.
Molecular Weight:	138.12
Molecular Formula:	C6H6N2O2
Canonical SMILES:	COC(=O)C1=CN=NC=C1
InChI:	InChI=1S/C6H6N2O2/c1-10-6(9)5-2-3-7-8-4-5/h2-4H,1H3
InChI Key:	IJFLWNYKGMQQOW-UHFFFAOYSA-N
Boiling Point:	281.3 °C at 760 mmHg
Density:	1.213 g/cm³
MDL:	MFCD09953488
LogP:	0.26320

Publication Number	Title	Priority Date
EP-3875452-A1	Monoacylglycerol lipase inhibitors	20200304
WO-2021175913-A1	Monoacylglycerol lipase inhibitors	20200304
WO-2020161248-A1	Herbicidal compounds	20190208
WO-2020161138-A1	Pyridazinium compounds for use in controlling unwanted plant growth	20190207
WO-2020099367-A1	Herbicidal compounds	20181112

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Pyridazines

[1187874-30-1]
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[438220-52-1]
N-(6-Chloropyridazin-3-yl)benzene-1,4-diamine
[2163817-03-4]
4-(4,5-Dibromo-6-oxo-1,6-dihydropyridazin-1-yl)benzene-1-sulfonamide
[645405-18-1]
4-Chloro-5-hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one
[923595-82-8]
6-Chloro-8-methoxyimidazo[1,2-b]pyridazine
[65202-58-6]
3-Bromo-6-methylpyridazine

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:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.042927438
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.042927438
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3