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Home> Hot Product Listed T   > T6349712
79-02-7 structure

T6349712

Iupac Name:2,2-dichloroacetaldehyde
CAS No.:79-02-7
Molecular Weight:112.94
Molecular Formula:C22H26CLN5O2 (isomer)
Names and Identifiers
Synonyms

1-(4-bromo-2-chlorobenzenesulfonyl)-4-methyl-2-phenylpiperazine hydrochloride MCULE-1916048000 MOLPORT-009-363-978 Z89390749

Inchi
InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H
InChkey
NWQWQKUXRJYXFH-UHFFFAOYSA-N
Canonical Smiles
C(=O)C(Cl)Cl
Properties
Melting Point
-50.15°C
Refractive Index
1.4530 (estimate)
Safety and Handling
Safety Statements
Mutation data reported. Flammable liquid when exposed to heat or flame. To fight fire, use water, foam, CO2, dry chemical. When heated to decomposition it emits toxic fumes of Cl−. See also ACETALDEHYDE and CHLORIDES.
HazardClass
3.2
PackingGroup
III
Transport
1992
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:112.94g/mol
  • Molecular Formula:C22H26CLN5O2
  • Compound Is Canonicalized:True
  • Exact Mass:111.948
  • Monoisotopic Mass:111.948
  • Complexity:34.6
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^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:1
  • CACTVS Substructure Key Fingerprint: AAADcQBAIAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIAAAAAAAOggMIAAAAAAAAI AAgQgAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-312-5958026
  • Fax:86-0312-5958026
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:86-311-80955068
  • Fax:86-0311-80955068
  • Tel:+1-(516)-504-0059, 800-375-6869
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  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-312-5958026
  • Fax:86-0312-5958026
 
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