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Home> Hot Product Listed 1   > 1H-Indazole-3-carboxamide,N-(3-methylphenyl)-
56211-40-6 structure

1H-Indazole-3-carboxamide,N-(3-methylphenyl)-

Iupac Name:1-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea
CAS No.:56211-40-6
Molecular Weight:348.421
Molecular Formula:C7H6CLNO2 (isomer)
Names and Identifiers
Synonyms

1h-indazole-3-carboxamide, n-(3-methylphenyl)- (9ci) 1H-Indazole-3-carboxamide,N-(3-methylphenyl)-(9CI) A3577/0151815 AB00760781-01 AC1LTC1M AKOS001294728 BG01232411 F2491-0040 MCULE-5826138296 MOLPORT-002-311-711 n-(3-methylphenyl)-1h-indazole-3-carboxamide n-(m-tolyl)-1h-indazole-3-carboxamide ST4108213 STK737041 ZINC1425351

Inchi
InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
InChkey
NGBFQHCMQULJNZ-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C
Properties
Melting Point
163-164℃
Refractive Index
1.594
Safety and Handling
Risk Statements
R36
Safety Statements
26-37/39
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:348.421g/mol
  • Molecular Formula:C7H6CLNO2
  • Compound Is Canonicalized:True
  • Exact Mass:348.126
  • Monoisotopic Mass:348.126
  • Complexity:518
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:109A^2
  • Heavy Atom Count:24
  • 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: AAADceB7sABAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgQQQAAADCjBWgQ/wZLIEAKo AjRnVHDCgDAxAiAI2Lw4ZJiIIGLA0dGEJAhglgLIyAcQgAAOAAAAQAAAAAAAAACAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
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  • Fax:86-21-61294103
  • Tel:86-371-86658258
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