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Home> Hot Product Listed S   > Sulfuric acid-d2,di(ammonium-d4) salt (8CI,9CI)
616-55-7 structure

Sulfuric acid-d2,di(ammonium-d4) salt (8CI,9CI)

Iupac Name:2,4-ditert-butyl-6-methylphenol
CAS No.:616-55-7
Molecular Weight:220.356
Molecular Formula:CAO4SE (isomer)
Names and Identifiers
Synonyms

Ammonium sulfate-d8 Ammonium-d4 sulfate Ammoniumsulfate ((ND4)2SO4) (7CI) Di(ammonium-d4) sulfate Sulfuric acid, di(ammonium-d4) salt

Inchi
InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7/h8-9,16H,1-7H3
InChkey
ZZZRZBIPCKQDQR-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)O
Properties
Melting Point
50-52 °C
Boiling Point
164°Cat760mmHg
Refractive Index
1.498
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) 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:220.356g/mol
  • Molecular Formula:CAO4SE
  • Compound Is Canonicalized:True
  • Exact Mass:220.183
  • Monoisotopic Mass:220.183
  • Complexity:231
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2A^2
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADgSAmAAyBoAAAgCA AiBCAAACAAAgIAAAiAAECIgIJiKCERKAcAAkwBEImAeAwPAPoAACAAAIAABAAAQAABAAAAAAAAAA AA==
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  • Tel:86-25-85287198
  • Fax:025-85287190 85287178
  • Tel:+86-531-66711649
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  • Tel:+ 45 - 2034 3359
  • Fax:+ 45 - 4542 3436
  • Tel:+86 21 64271122
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  • Tel:518 370 4200
  • Fax:+1 518 346 6908
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