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Home> Hot Product Listed T   > T6576459
89692-57-9 structure

T6576459

Iupac Name:(NZ)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine
CAS No.:89692-57-9
Molecular Weight:200.5792
Molecular Formula:C23H28N4O6S (isomer)
Names and Identifiers
Synonyms

3-[(3,4-dihydro-2h-1-benzopyran-3-yl)methyl]-1-[(pyridin-4-yl)methyl]urea MCULE-9747026725 MOLPORT-009-059-435 Z432466080

Inchi
InChI=1/C7H5ClN2O3/c8-7-2-1-6(10(12)13)3-5(7)4-9-11/h1-4,11H/b9-4-
Canonical Smiles
C1=CC(=C(C=C1[N+](=O)[O-])C=NO)Cl
Isomers Smiles
C1=CC(=C(C=C1[N+](=O)[O-])/C=N\O)Cl
Properties
Refractive Index
1.612
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

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:200.5792g/mol
  • Molecular Formula:C23H28N4O6S
  • XLogP3-AA:2.2
  • Exact Mass:199.99887
  • Monoisotopic Mass:199.99887
  • Complexity:216
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:78.4
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
Recommended Suppliers
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Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:380 445319497
  • Fax:38 044 531 94 97
  • Tel:(852) 23902293
  • Fax:(852) 2789 8314
 
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