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3-Methylpyridazine-4-carboxylic acid

HCID 53414730
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
933715-17-4
Standard SMILES
Cc1nnccc1C(=O)O
InChIKey
UTQRGFJATKOAMS-UHFFFAOYSA-N
Molecular formula
C6H6N2O2
Average molar mass
138.12 g/mol
Monoisotopic mass
138.04292743

Names & identifiers

Preferred name
3-Methylpyridazine-4-carboxylic acid
IUPAC
3-methylpyridazine-4-carboxylic acid
English name
3-methyl-4-pyridazinecarboxylic acid
Molecular formula
C6H6N2O2
Molecular weight
138.12

Names & synonyms

3-METHYLPYRIDAZINE-4-CARBOXYLIC ACID933715-17-4DTXSID40696885RefChem:281202DTXCID80647634875-450-1MFCD119774614-Pyridazinecarboxylicacid, 3-methyl-4-PYRIDAZINECARBOXYLIC ACID, 3-METHYL-3-methyl-4-pyridazinecarboxylic acid3-Methyl-pyridazine-4-carboxylic acidSCHEMBL344084
Show more names
Methylpyridazine-​3-Methyl-4-pyridazinecarboxylic acid
SCHEMBL29950739methyl 4-pyridazinecarboxylic acidUTQRGFJATKOAMS-UHFFFAOYSA-NIMB71517AKOS022718862CS-W000579PB22593NS-01072

Database identifiers

CAS
933715-17-4
PubChem CID
53414730
DTXSID
DTXSID40696885
EC Number
875-450-1

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
63.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
138

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers10 total

宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
西安瑞成医药科技有限责任公司18291828687 · [email protected]
杰达维(上海)医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
北京博恩康达医药科技有限公司13261021908 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
砌块化学科技(上海)有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]

Related reactions

2 records
New reaction record
HRID 550528 reaction equation
HRID 550528As productuspto-grants-2011_05
HRID 1144897 reaction equation
HRID 1144897As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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