3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol

Basic Information

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CAS Number

69756-53-2

Molecular Formula

C26H30Cl2F3NO

Molecular Weight

500.43 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

199-205°C

Density

1.244±0.06 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (4.0E-6 g/L) (25 ºC),

SMILES

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CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O

InChI

InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3

InChIKey

FOHHNHSLJDZUGQ-UHFFFAOYSA-N

LogP

8.644300000000001

Topological Polar Surface Area

23.47 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

584

Safety Information

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GHS Hazard Pictograms

H413

Hazard Statement

H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

1,3-DICHLORO-.ALPHA.-(2-(DIBUTYLAMINO)ETHYL)-6-(TRIFLUOROMETHYL)-9-PHENANTHRENEMETHANOL
Halofantrinum [INN-Latin]
SCHEMBL43795
3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol
NCGC00179250-04
UNII-R7ADS21FSN
NCGC00179250-01
1,3-Dichloro-.alpha.-[2-(dibutylamino)ethyl]-6- (trifluoromethyl)-9-phenathrenemethanol
BSPBio_001241
3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol
MLS002154111
AC-481
69756-53-2
DTXSID0023119
NS00003472
3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol #
1,3-Dichloro-.alpha.-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-9-phenanthrene-methanol
AKOS015907678
9-Phenanthrenemethanol, 1,3-dichloro-.alpha.-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-
3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]propan-1-ol;hydrochloride
1,3-Dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluoromethyl)-9-phenanthrenemetnaol
(+)-Halofantrine
Q2OS4303HZ
Halofantrine
4646B297U7
BCP13777
3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol;hydrochloride
SMR004701269
Halofantrine [USAN:INN:BAN]
dl-WR 171669
AS-14162

MDL Number

MFCD00866195

FAQ

What is 3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol (CAS: 69756-53-2)?

3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol is a complex organic compound with a dibutylamino group and a 1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl moiety. It has a molecular weight of approximately 542.03 and is characterized by its aromatic and halogenated structure. This compound is used in research and pharmaceutical applications due to its chemical properties.

What are the main uses of 3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol (CAS: 69756-53-2)?

The main uses of 3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol include research applications, particularly in synthetic organic chemistry and medicinal chemistry. It is also utilized in pharmaceutical development for potential drug candidates.

Is 3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol (CAS: 69756-53-2) safe?

3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol (CAS: 69756-53-2) is classified as a hazardous chemical due to its components and structure. It is important to handle this compound with appropriate protective measures, including wearing personal protective equipment and ensuring proper ventilation. It should be stored away from heat, sources of ignition, and incompatible materials.

How should 3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol (CAS: 69756-53-2) be stored?

3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container that is compatible with the material to avoid degradation. Proper storage helps to ensure the stability and safety of the compound during storage and handling.