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Home> Hot Product Listed E   > EN300-94272
65530-69-0 structure

EN300-94272

CAS No.:65530-69-0
Molecular Weight:208.12773
Molecular Formula:C14H14BRNO (isomer)
Names and Identifiers
Synonyms

4-(1,3-benzodioxol-5-yl)-3-ethyl-1h-pyrazol-5-amine 4-(2h-1,3-benzodioxol-5-yl)-3-ethyl-1h-pyrazol-5-amine 4-(2h-1,3-benzodioxol-5-yl)-5-ethyl-1h-pyrazol-3-amine AKOS009354403 MCULE-2666289433 MOLPORT-013-270-764 MOLPORT-023-135-483 NE46656 Z1269638576 ZINC34975925

Inchi
InChI=1/C6H9F3O2S.Li/c7-6(8,9)2-4-12-3-1-5(10)11;/h1-4H2,(H,10,11);/q;+1/p-1
Canonical Smiles
[Li+].C(CSCCC(F)(F)F)C(=O)[O-]
Properties
Melting Point
50-60 °C(lit.)
Safety and Handling
Risk Statements
20-67-36-11-10
Safety Statements
36-26-24/25-16-7
Transport
UN 1987 3/PG 3
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:208.12773g/mol
  • Molecular Formula:C14H14BRNO
  • Exact Mass:208.035714
  • Monoisotopic Mass:208.035714
  • Complexity:151
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:65.4
  • Heavy Atom Count:13
  • 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:2
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