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Home> Hot Product Listed Z   > ZINC24203955
826-81-3 structure

ZINC24203955

Iupac Name:2-methylquinolin-8-ol
CAS No.:826-81-3
Molecular Weight:159.18456
Molecular Formula:C17H23BRN2O5S (isomer)
Names and Identifiers
Synonyms

{8-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl}methyl 3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoate {8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl}methyl 3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoate MCULE-7473305827 MOLPORT-009-389-973 T6266857 Z114089180

Inchi
InChI=1/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
InChkey
NBYLBWHHTUWMER-UHFFFAOYSA-N
Canonical Smiles
CC1=NC2=C(C=CC=C2O)C=C1
Properties
Melting Point
70-74℃
Refractive Index
1.596 (79 C)
HS Code
29334990
Safety and Handling
Risk Statements
R50/53
Safety Statements
S24/25;S60;S61
HazardClass
9
PackingGroup
III
Transport
UN 3077
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 INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2010
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:159.18456g/mol
  • Molecular Formula:C17H23BRN2O5S
  • XLogP3-AA:2.3
  • Exact Mass:159.068414
  • Monoisotopic Mass:159.068414
  • Complexity:160
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:33.1
  • Heavy Atom Count:12
  • 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
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Recommended Suppliers
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-60542966
  • Fax:86-21-61916468
 
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