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Home> Hot Product Listed S   > STOCK1S-80146
118-41-2 structure

STOCK1S-80146

Iupac Name:3,4,5-trimethoxybenzoic acid
CAS No.:118-41-2
Molecular Weight:212.201
Molecular Formula:C25H17NO (isomer)
Names and Identifiers
Synonyms

3-(1,3-benzothiazol-2-yl)-7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2h-chromen-2-one 3-(1,3-benzothiazol-2-yl)-7-[(2,3,4,5,6-pentafluorophenyl)methoxy]chromen-2-one 3-(1,3-benzothiazol-2-yl)-7-[(pentafluorobenzyl)oxy]-2h-chromen-2-one 3-benzothiazol-2-yl-7-[(2,3,4,5,6-pentafluorophenyl)methoxy]chromen-2-one AC1LUKS8 AC1Q4LAO AKOS001660600 MOLPORT-000-423-711 ST50038412 STK836602 ZINC1797720

Inchi
InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChkey
SJSOFNCYXJUNBT-UHFFFAOYSA-N
Canonical Smiles
COC1=CC(=CC(=C1OC)OC)C(=O)O
Properties
Melting Point
168-172℃
Vapour
2.49E-06mmHg at 25°C
HS Code
29189090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
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  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
MOEHS CATALANA 2017
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:212.201g/mol
  • Molecular Formula:C25H17NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.4
  • Exact Mass:212.068
  • Monoisotopic Mass:212.068
  • Complexity:204
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:65A^2
  • Heavy Atom Count:15
  • 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: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAIyDoAABgCI AiDSCAACCAAkIAAAiAEGiMgNJzKENRqAcSIlwBUKuYfK7DzOIAABCAAAQABAAAIQAACAAAAAAAAA AA==
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Recommended Suppliers
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  • Tel:86-27-111111
  • Fax:86-27-111111
  • Tel:86-371-86658258
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  • Tel:86-571-85829152
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  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
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  • Tel:86-1732-7098554
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