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Home> Hot Product Listed B   > BIONET2_000768
10124-56-8 structure

BIONET2_000768

CAS No.:10124-56-8
Molecular Weight:611.770386
Molecular Formula:C19H18N2O3S (isomer)
Names and Identifiers
Synonyms

2-(5-(2,4-dichlorobenzoyl)thiophen-2-yl)acetonitrile 7L-017 AJ-17346 AK-69540 AKOS005071031 dichlorobenzoylthienylacetonitrile HMS1366C20 mfcd00664601 MOLPORT-002-345-219 OPREA1_843854 RP15952 ZINC169993

Inchi
InChI=1/6Na.H6O18P6/c;;;;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h;;;;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)/q6*+1;/p-6
Canonical Smiles
[O-]P1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Properties
Melting Point
616 °C
Refractive Index
1.482
Safety and Handling
Safety Statements
S24/25
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
B-Lands Consulting (811546-3) 2015
B-Lands Consulting (811649-9) 2016
BK Giulini GmbH 2010
more >
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:611.770386g/mol
  • Molecular Formula:C19H18N2O3S
  • Exact Mass:611.68965
  • Monoisotopic Mass:611.68965
  • Complexity:513
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:18
  • Topological Polar Surface Area:296
  • Heavy Atom Count:30
  • 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:7
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