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Home> Hot Product Listed 3   > 3-amino-2-chloro-4-(trifluoromethyl)benzonitrile
112-66-3 structure

3-amino-2-chloro-4-(trifluoromethyl)benzonitrile

Iupac Name:dodecyl acetate
CAS No.:112-66-3
Molecular Weight:228.37092
Molecular Formula:C38H40N2O6S2 (isomer)
Names and Identifiers
Synonyms

AK344205 AKOS027340612

Inchi
InChI=1/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3
InChkey
VZWGRQBCURJOMT-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCCCOC(=O)C
Properties
Vapour
0.0094mmHg at 25°C
Refractive Index
n20/D 1.432(lit.)
HS Code
2915390090
Safety and Handling
Safety Statements
A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Note
H413
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:228.37092g/mol
  • Molecular Formula:C38H40N2O6S2
  • XLogP3-AA:5.6
  • Exact Mass:228.20893
  • Monoisotopic Mass:228.20893
  • Complexity:155
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:16
  • 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:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:+86-571-85378921
  • Fax:
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:+1-(800)-248-2436
  • Fax:+1-(203)-937-8400
  • Tel:+81 3 5640 8872
  • Fax:+81 3 5640 8902
  • Tel:49 7171 9114 0
  • Fax:0 71 71 / 91 14 - 10
 
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