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Home> Hot Product Listed S   > STOCK1S-28708
126-58-9 structure

STOCK1S-28708

CAS No.:126-58-9
Molecular Weight:131.17292
Molecular Formula:C22H20BRCLN4O2 (isomer)
Names and Identifiers
Synonyms

AC1MP8ML AKOS022108116 c19h15f4n3o4s ethyl 2-(1,3-benzothiazol-2-ylcarbamoylamino)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate ethyl 2-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate ethyl n-(1,3-benzothiazol-2-ylcarbamoyl)-3,3,3-trifluoro-2-(4-fluorophenoxy)alaninate MCULE-4481946879 MOLPORT-002-544-344 MOLPORT-015-160-683 STL324376

Inchi
InChI=1/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2
InChkey
TXBCBTDQIULDIA-UHFFFAOYSA-N
Canonical Smiles
CC(C)CC(C(=O)O)N
Isomers Smiles
CC(C)C[C@@H](C(=O)O)N
Properties
Melting Point
215-225℃
Vapour
4.77E-14mmHg at 25°C
Refractive Index
1.553
HS Code
29094919
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 >
Registered companies:
Registrant / Supplier details Latest dossier received
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2013
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2017
Ercros SA 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:131.17292g/mol
  • Molecular Formula:C22H20BRCLN4O2
  • XLogP3-AA:_1.5
  • Exact Mass:131.094629
  • Monoisotopic Mass:131.094629
  • Complexity:101
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.3
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:1
  • 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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Recommended Suppliers
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