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Home> Hot Product Listed 2   > 2H-Pyran-3-acetic acid,2-ethoxy-3,6-dihydro-, methyl ester, (2S-cis)- (9CI)
50-65-7 structure

2H-Pyran-3-acetic acid,2-ethoxy-3,6-dihydro-, methyl ester, (2S-cis)- (9CI)

Iupac Name:5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
CAS No.:50-65-7
Molecular Weight:327.11962
Molecular Formula:C5H10O (isomer)
Names and Identifiers
Synonyms

2H-Pyran-3-aceticacid,2-ethoxy-3,6-dihydro-,methylester,(2S-cis)-(9CI)

Inchi
InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
InChkey
RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O
Properties
Melting Point
225-230 DEG C
Boiling Point
100 °C (10 mmHg)
Refractive Index
1.709
Safety and Handling
Transport
UN 3077
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

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

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H400 Very toxic to aquatic life

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:327.11962g/mol
  • Molecular Formula:C5H10O
  • Exact Mass:325.986112
  • Monoisotopic Mass:325.986112
  • Complexity:404
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:95.2
  • Heavy Atom Count:21
  • 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
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