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Home> Hot Product Listed M   > MCULE-2107935976
80-32-0 structure

MCULE-2107935976

Iupac Name:4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CAS No.:80-32-0
Molecular Weight:284.718
Molecular Formula:C21H23N5O3S (isomer)
Names and Identifiers
Synonyms

4-(5-chlorothiophen-2-yl)-n-(2-methanesulfonylethyl)-1h-pyrrole-3-carboxamide MOLPORT-027-649-435 Z821530030 ZINC49002259

Inchi
InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)
InChkey
XOXHILFPRYWFOD-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl
Properties
Melting Point
186-187℃
HS Code
2935009090
Safety and Handling
Risk Statements
R43
Safety Statements
When heated to decomposition it emits acrid smoke and irritating fumes.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

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:284.718g/mol
  • Molecular Formula:C21H23N5O3S
  • Compound Is Canonicalized:True
  • XLogP3-AA:1
  • Exact Mass:284.013
  • Monoisotopic Mass:284.013
  • Complexity:365
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:106A^2
  • Heavy Atom Count:18
  • 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: AAADccBzsABEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHAYYQAAACAqBUiAx8ZBAAAKi ACZiYHDSBBIgBwAcmDgwZpgIIKKBk5GAoABwmAAIyAcQAAAAAAQAAAAAAAAACAAAAAAAAAAAAAAA AA==
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  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
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