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Home> Hot Product Listed A   > aluminum(III) phthalocyanine trisulfonic acid
16063-79-9 structure

aluminum(III) phthalocyanine trisulfonic acid

Iupac Name:2-amino-4,4,4-trifluoro-3-methylbutanoic acid
CAS No.:16063-79-9
Molecular Weight:171.12
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C5H8F3NO2/c1-2(5(6,7)8)3(9)4(10)11/h2-3H,9H2,1H3,(H,10,11)
InChkey
BAOLXXJPOPIBKA-UHFFFAOYSA-N
Canonical Smiles
CC(C(C(=O)O)N)C(F)(F)F
Properties
Density
1.508
Melting Point
245-248
Safety and Handling
Risk Statements
20/21/22
Safety Statements
Hazard Codes Xi,TRisk Statements 20/21/22Safety Statements 36/37/39
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:171.12g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.7
  • Exact Mass:171.051
  • Monoisotopic Mass:171.051
  • Complexity:156
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:63.3A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBiMYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHwAQCAAADSjBgBQCCABAAgAI AACQCAAAAAAAAAAAAIGAAAACABAAAAAAQAAEEAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:908-359-6778
  • Fax:908-359-1179
  • Tel:+1-(800)-782-6223
  • Fax:+1-(858)-571-3476
 
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