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Home> Hot Product Listed T   > T6551627
42019-78-3 structure

T6551627

Iupac Name:(4-chlorophenyl)-(4-hydroxyphenyl)methanone
CAS No.:42019-78-3
Molecular Weight:232.663
Molecular Formula:C14H13F2NOS (isomer)
Names and Identifiers
Synonyms

2-[(1,3-benzothiazol-2-yl)methoxy]-n-[2-(pyrrolidin-1-yl)propyl]acetamide MCULE-1871008302 MOLPORT-009-545-914 Z403708302

Inchi
InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H
InChkey
RUETVLNXAGWCDS-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O
Properties
Melting Point
177-181℃
Refractive Index
1.623
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Transport
25kgs
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 10_100 view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
cordenpharma chenove 2012
Prosyntis S.A.S. 2013
Sustainability Support Services (Europe) AB 2012
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:232.663g/mol
  • Molecular Formula:C14H13F2NOS
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.7
  • Exact Mass:232.029
  • Monoisotopic Mass:232.029
  • Complexity:238
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:16
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgIACAAADAaAmCAwBoAAAgCI AqBSAAACAAAkJQAIiAEGCsgIJjKDFxKAcQAkwBEImYeIzODOJAAAAAAAAABIAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-85829152
  • Fax:86-571-85829153
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  • Fax:86-21-51685790
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87758773
  • Fax:86-571-86821328
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  • Tel:86-571-87396430
  • Fax:86-571-87396431
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  • Fax:86-21-61294103
  • Tel:86-188-74586545
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