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Home> Encyclopedia > Hot Product Listed 6   > 6-Benzothiazolecarboxaldehyde,2,3-dihydro-2-oxo-
84-54-8 structure

6-Benzothiazolecarboxaldehyde,2,3-dihydro-2-oxo-

Iupac Name:2-methylanthracene-9,10-dione
CAS No.:84-54-8
Molecular Weight:222.2387
Molecular Formula:C12H22O3 (isomer)
Names and Identifiers
Synonyms

2,3-dihydro-2-oxobenzothiazole-6-carbaldehyde 2-oxo-2,3-dihydro-1,3-benzothiazole-6-carbaldehyde 2-oxo-2,3-dihydrobenzo[d]thiazole-6-carbaldehyde 2-oxo-3h-1,3-benzothiazole-6-carbaldehyde 6-benzo[d]thiazolecarboxaldehyde,2,3-dihydro-2-oxo- 6-benzothiazolecarboxaldehyde, 2,3-dihydro-2-oxo- 6-benzothiazolecarboxaldehyde, 2,3-dihydro-2-oxo- (9ci) 6-Benzothiazolecarboxaldehyde,2,3-dihydro-2-oxo-(9CI) AKOS022707832 AKOS023779714 HE266274 KB-285692 PLOXCHZVADFDRO-UHFFFAOYSA-N SCHEMBL14940358 ZINC45235985

Inchi
InChI=1/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
InChkey
NJWGQARXZDRHCD-UHFFFAOYSA-N
Canonical Smiles
CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
Properties
Density
1.344
Melting Point
168℃
Refractive Index
1.644 
HS Code
29146990
Safety and Handling
Risk Statements
R51/53
Safety Statements
S24/25
HazardClass
5.2
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

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:222.2387g/mol
  • Molecular Formula:C12H22O3
  • XLogP3-AA:3.9
  • Exact Mass:222.06808
  • Monoisotopic Mass:222.06808
  • Complexity:347
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.1
  • Heavy Atom Count:17
  • 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
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  • Fax:86-21-51685790
  • Tel:86-571-87396430
  • Fax:86-571-87396431
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