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Home> Hot Product Listed T   > T6523927
611-71-2 structure

T6523927

CAS No.:611-71-2
Molecular Weight:152.14732
Molecular Formula:C13H16N4OS3 (isomer)
Names and Identifiers
Synonyms

4-{[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl}-n,n-dimethylpiperazine-1-carboxamide MCULE-3076591991 MOLPORT-007-478-120 Z401037112 ZINC40091289

Inchi
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
InChkey
IWYDHOAUDWTVEP-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C(C(=O)O)O
Properties
Melting Point
130-134℃
Refractive Index
-153.5 ° (C=1, H2O)
Alpha
-150 o (C=2.5, H2O)
HS Code
29181980
Safety and Handling
Risk Statements
R41
Safety Statements
S24/25
Transport
25kgs in
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
BASF SE 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:152.14732g/mol
  • Molecular Formula:C13H16N4OS3
  • XLogP3-AA:0.6
  • Exact Mass:152.047344
  • Monoisotopic Mass:152.047344
  • Complexity:138
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:57.5
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • 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
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-136-71516988
  • Fax:86-21-24280809
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-27-83214668
  • Fax:86-27-83214668
 
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