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Home> Encyclopedia > Hot Product Listed 2   > 2-Propanol,1-(9H-carbazol-4-yloxy)-3-[(1-methylethyl)amino]-, (2R)-
168267-41-2 structure

2-Propanol,1-(9H-carbazol-4-yloxy)-3-[(1-methylethyl)amino]-, (2R)-

Iupac Name:(3,4-difluorophenyl)boronic acid
CAS No.:168267-41-2
Molecular Weight:157.911
Molecular Formula:C11H16O2 (isomer)
Names and Identifiers
Synonyms

(+)-carazolol (R)-Carazolol 2-propanol, 1-(9h-carbazol-4-yloxy)-3-((1-methylethyl)amino)-, (2r)- 2-Propanol,1-(9H-carbazol-4-yloxy)-3-[(1-methylethyl)amino]-, (R)- carazolol, (r)- qwg53k908b UNII-29PW75S82A COMPONENT BQXQGZPYHWWCEB-CYBMUJFWSA-N unii-qwg53k908b ZINC1999243

Inchi
InChI=1S/C6H5BF2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChkey
RMGYQBHKEWWTOY-UHFFFAOYSA-N
Canonical Smiles
B(C1=CC(=C(C=C1)F)F)(O)O
Properties
Density
1.272
Melting Point
305-310℃
Boiling Point
440.5 °C at 760 mmHg
Vapour
0.136mmHg at 25°C
Refractive Index
1.493
Flash Point
193.7 °C
Solubility
at 25 deg C (mg/L): 8.524
HS Code
29319090
Storage temp
0-6°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:157.911g/mol
  • Molecular Formula:C11H16O2
  • Compound Is Canonicalized:True
  • Exact Mass:158.035
  • Monoisotopic Mass:158.035
  • Complexity:134
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:11
  • 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: AAADcYJgMYAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAoGQAACAAACACAEAgwAIAAAACA ACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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