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Home> Hot Product Listed T   > T6584975
87-89-8 structure

T6584975

Iupac Name:cyclohexane-1,2,3,4,5,6-hexol
CAS No.:87-89-8
Molecular Weight:180.16
Molecular Formula:C11H12N2O4 (isomer)
Names and Identifiers
Synonyms

MCULE-6241845733 MOLPORT-009-448-620 n-(1-phenylethyl)-4-[(2,2,2-trifluoroethoxy)methyl]benzamide Z228645960

Inchi
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
InChkey
CDAISMWEOUEBRE-UHFFFAOYSA-N
Canonical Smiles
C1(C(C(C(C(C1O)O)O)O)O)O
Properties
Melting Point
222-227 °C(lit.)
Vapour
0mmHg at 25°C
Refractive Index
1.6170 (estimate)
HS Code
29061390
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
22-24/25
Transport
50kgs
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 87-89-8 EC: T6584975 ·ECHA C&L Inventory for CAS: CAS: 87-89-8 EC: T6584975
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:180.16g/mol
  • Molecular Formula:C11H12N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:180.063
  • Monoisotopic Mass:180.063
  • Complexity:104
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:121A^2
  • Heavy Atom Count:12
  • 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: AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAAAgAA AAAAAAAAAAAAAAAAAAAAAAABEAIAAAAAQAAFAAABAAHAYAQAAAAAAAAAAAACAAAQAACAAAAAAAAA AA==
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