Diphenidol | CAS No. 972-02-1

Diphenidol

Basic Information

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CAS Number

972-02-1

Molecular Formula

C21H27NO

Molecular Weight

309.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

104-105°

Boiling Point

473.3°C at 760 mmHg

Density

1.0350 (rough estimate)

Flash Point

233.5 °C

Refractive Index

1.5614 (estimate)

SMILES

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C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2

InChIKey

OGAKLTJNUQRZJU-UHFFFAOYSA-N

LogP

4.188600000000004

Topological Polar Surface Area

23.47 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

307

Safety Information

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Toxicity

LD50 s.c. in rats: 50 mg/kg (Goldenthal)

Synonyms & References

English

Difenidolum
.alpha.,.alpha.-Diphenyl-1-piperidinebutanol
SK&F-478A
Diphenyl(3-(1-piperidyl)propyl)carbinol
972-02-1
NCGC00016624-05
Diphenidol [USAN]
DIPHENIDOL
HY-A0270
NCGC00016624-02
OGAKLTJNUQRZJU-UHFFFAOYSA-N
1-Piperidinebutanol, alpha,alpha-diphenyl-
SCHEMBL34469
DIFENIDOL [WHO-DD]
Difenidolo [DCIT]
1H-INDENE-5-CARBOXYLIC ACID,2,3-DIHYDRO-3-OXO-,ETH
DB01231
EINECS 213-540-9
DIPHENIDOL [VANDF]
NCGC00016624-01
1,1-Diphenyl-4-(1-piperidinyl)-1-butanol #
NQO8R319LY
CS-0017619
HMS3429M14
NCGC00016624-03
CAS-972-02-1
Q5279734
GTPL7163
HSDB 3316
1,1-Diphenyl-4-(piperidin-1-yl)butan-1-ol
DTXSID3022950

MDL Number

MFCD00057378

FAQ

What regulatory guidelines apply to Diphenidol (CAS: 972-02-1)?

Diphenidol (CAS: 972-02-1) is regulated under the Globally Harmonized System (GHS) for classification of chemicals, as well as European Chemicals Agency (ECHA) REACH regulations. FDA and EPA require specific labeling, documentation, and handling practices for this compound. It is crucial to adhere to local and international safety standards to ensure compliance and protect against potential hazards.

Are there alternatives to Diphenidol (CAS: 972-02-1) in synthesis?

Diphenidol (CAS: 972-02-1) can be synthesized using various alternative reagents such as diphenylamine and 1,2-diphenylethylene. Researchers often explore isomers like 1-(2-phenylethyl)-1H-indole and other analogs to achieve similar properties. These alternatives can offer varying degrees of reactivity and selectivity, providing flexibility in synthetic pathways.

What is the market or research trend for Diphenidol (CAS: 972-02-1)?

The market for Diphenidol (CAS: 972-02-1) is driven by its use in pharmaceuticals and research, particularly in antihistamine and antitussive applications. Recent trends indicate increasing interest in its potential for treating respiratory conditions. Research is focused on understanding its pharmacological properties and exploring its use in combination therapies. Market dynamics suggest ongoing demand, with potential for growth in specialized therapeutic areas.

How should waste containing Diphenidol (CAS: 972-02-1) be handled?

Waste containing Diphenidol (CAS: 972-02-1) should be collected in appropriate containers and stored in a well-ventilated area. Incineration or professional waste disposal is recommended to ensure safe disposal. Environmental precautions include proper containment to prevent accidental release. Disposal should comply with local regulations to minimize environmental impact and ensure safety.