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Home> Hot Product Listed 1   > 1-(2,1,3-BENZOTHIADIAZOL-4-YL)-2-BROMO-1-ETHANONE,97%
10049-16-8 structure

1-(2,1,3-BENZOTHIADIAZOL-4-YL)-2-BROMO-1-ETHANONE,97%

Iupac Name:vanadium(4+);tetrafluoride
CAS No.:10049-16-8
EINECS(EC#): 613-434-6
Molecular Weight:126.935
Molecular Formula:C23H28O10 (isomer)
Names and Identifiers
Synonyms

1-(2,1,3-benzothiadiazol-4-yl)-2-bromo-1-ethanone 1-(2,1,3-benzothiadiazol-4-yl)-2-bromoethan-1-one 1-(2,1,3-benzothiadiazol-4-yl)-2-bromoethanone CTK4J1881 DTXSID90697923

Inchi
InChI=1S/4FH.V/h4*1H;/q;;;;+4/p-4
InChkey
JTWLHYPUICYOLE-UHFFFAOYSA-J
Canonical Smiles
[F-].[F-].[F-].[F-].[V+4]
Properties
Density
0.977
Melting Point
325℃ (dec.)(lit.)
Safety and Handling
Risk Statements
R23/24/25
Safety Statements
S22
HazardClass
8
Safety
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.;S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.;S45:In case of accident of if you feel unwell, seek medical advice immediately (show the label where possible).;
PackingGroup
II
Transport
UN 3290 6.1/PG 2
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H314 Causes severe skin burns and eye damage

H330 Fatal if inhaled

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:126.935g/mol
  • Molecular Formula:C23H28O10
  • Compound Is Canonicalized:True
  • Exact Mass:126.938
  • Monoisotopic Mass:126.938
  • Complexity:0
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:5
  • 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:5
  • CACTVS Substructure Key Fingerprint: AAADcQAAAcAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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