6-Chloro-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

HCID 334015
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
50681-26-0
Standard SMILES
O=C(O)c1cc(Cl)n[nH]c1=O
InChIKey
LIXNWFSTAHULTE-UHFFFAOYSA-N
Molecular formula
C5H3ClN2O3
Average molar mass
174.54 g/mol
Monoisotopic mass
173.98321964

Names & identifiers

Preferred name
6-Chloro-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
IUPAC
3-chloro-6-oxo-1H-pyridazine-5-carboxylic acid
English name
6-Chloro-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
Molecular formula
C5H3ClN2O3
Molecular weight
174.54

Names & synonyms

6-chloro-3-oxo-2,3-dihydropyridazine-4-carboxylic acidRefChem:541677855-653-150681-26-06-chloro-3-hydroxypyridazine-4-carboxylic acid3-chloro-6-oxo-1H-pyridazine-5-carboxylic acidMFCD082461396-Chloro-3-hydroxy-4-pyridazinecarboxylic acidNSC338205NSC 338205MLS0031709206-chloro-3-hydroxy-pyridazine-4-carboxylic acid
Show more names
3-chloro-6-oxo-1H-pyridazine-5-carboxylicaci6-chloro-3-hydroxypyridazine-4-carboxylicacid6-CHLORO-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXYLIC ACID ISO 9001：2015 REACH
4-Pyridazinecarboxylic acid, 6-chloro-2,3-dihydro-3-oxo-SCHEMBL1847601SCHEMBL3550617CHEMBL2358559DTXSID30198722LIXNWFSTAHULTE-UHFFFAOYSA-NMFCD12756225AKOS000119217

Database identifiers

CAS
50681-26-0
PubChem CID
334015
DTXSID
DTXSID30198722
ChEMBL
CHEMBL2358559
EC Number
855-653-1

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
78.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

Uses6-Chloro-3-hydroxypyridazine-4-carboxylic acid

Upstream & downstream products

Suppliers46 total

上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

Loading…