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Home> Encyclopedia > Hot Product Listed 2   > 2-Propanone,3-(diethylamino)-1-hydroxy-1,1-diphenyl-
2398-37-0 structure

2-Propanone,3-(diethylamino)-1-hydroxy-1,1-diphenyl-

Iupac Name:1-bromo-3-methoxybenzene
CAS No.:2398-37-0
Molecular Weight:187.036
Molecular Formula:C25H33CL2NO6 (isomer)
Names and Identifiers
Synonyms

2-propanone, 3-diethylamino-1,1-diphenyl-1-hydroxy- 3-(Diethylamino)-1-hydroxy-1,1-diphenyl-2-propanone 3-(diethylamino)-1-hydroxy-1,1-diphenylpropan-2-one 3-diethylamino-1,1-diphenyl-1-hydroxyacetone AC1L4TKW AC1Q5C5M acm24860795 brn 2750096 CTK1A2052 DTXSID30179571 LS-122851 OR065347 OR247645 ZINC3613449

Inchi
InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChkey
PLDWAJLZAAHOGG-UHFFFAOYSA-N
Canonical Smiles
COC1=CC(=CC=C1)Br
Properties
Density
1.339
Melting Point
2℃
Boiling Point
372.3°C at 760 mmHg
Vapour
0.278mmHg at 25°C
Refractive Index
1.563-1.565
Flash Point
386°C
HS Code
29093038
Safety and Handling
Safety Statements
S24/25
Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 360mg/kg (360mg/kg)   Russian Pharmacology and Toxicology Vol. 32, Pg. 311, 1969.

Specification

  2-Propanone, 3-diethylamino-1,1-diphenyl-1-hydroxy- (CAS NO.24860-79-5), its Synonyms are 3-(Diethylamino)-1-hydroxy-1,1-diphenyl-2-propanone ; 3-Diethylamino-1,1-diphenyl-1-hydroxyacetone .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:187.036g/mol
  • Molecular Formula:C25H33CL2NO6
  • Compound Is Canonicalized:True
  • XLogP3-AA:3
  • Exact Mass:185.968
  • Monoisotopic Mass:185.968
  • Complexity:85
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:9.2A^2
  • Heavy Atom Count:9
  • 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: AAADcYBgIAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBAAAABqASAkAIyBoAABACA ACBCAAACCAAgIAQIiAAGCKgMJiKEMRqAMCAkwBEIqheAQAAAAAAAAIAAAAAAAAABAAAAAAAAAAAA AA==
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