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Home> Hot Product Listed F   > F5037-1840
100784-20-1 structure

F5037-1840

Iupac Name:methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CAS No.:100784-20-1
Molecular Weight:434.808
Molecular Formula:C19H17N3O4 (isomer)
Names and Identifiers
Synonyms

AKOS024493147 MCULE-6508563190 MOLPORT-009-723-154 n-(2-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy)ethyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide VU0632153-1 ZINC36700492

Inchi
InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)
InChkey
FMGZEUWROYGLAY-UHFFFAOYSA-N
Canonical Smiles
CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
Properties
Melting Point
175-177℃
Refractive Index
1.663
Safety and Handling
Risk Statements
50/53
Safety Statements
60-61
HazardClass
9
PackingGroup
III
Transport
UN3077 9/PG 3
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 100784-20-1 EC: F5037-1840 ·ECHA C&L Inventory for CAS: CAS: 100784-20-1 EC: F5037-1840
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:434.808g/mol
  • Molecular Formula:C19H17N3O4
  • Compound Is Canonicalized:True
  • Exact Mass:434.041
  • Monoisotopic Mass:434.041
  • Complexity:665
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:172A^2
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzuABEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAAB4AAAHgYYQAAADAKB2iYznZbIFAKq AiDyfHDYnDkFpqARUDE+blCEDQhEaEgEhKwLCQ5AJGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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