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4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide | CAS No. 103146-26-5

4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide

Basic Information

Chemical_Structure_Of
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CAS Number

103146-26-5

Molecular Formula

C20H24BrFN2O2

Molecular Weight

423.3 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles
Fine Chemicals Specialty Chemicals UV Stabilizers
Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

201-210°C

Boiling Point

561.6 °C at 760 mmHg

Flash Point

293.5 °C

SMILES

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CN(C)CCCC(C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O.Br

InChI

InChI=1S/C20H23FN2O2.BrH/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24;/h4-9,12,24-25H,3,10-11,14H2,1-2H3;1H

InChIKey

RVGFHORHCHHPCZ-UHFFFAOYSA-N

LogP

3.72548

Complexity

456

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 103146-26-5
  • 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide
  • MFCD08436978
  • 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile monohydrobromide
  • 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile--hydrogen bromide (1/1)
  • 4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile hydrobromide
  • Benzonitrile, 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)-, hydrobromide (1:1)
  • Citadiol HBr
  • 4-[4-(Dimethylamino)-1-(4-fluoro-phenyl)-1-hydroxy-butyl]-3-hydroxymethyl-benzonitrile hydrobromide
  • 4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrilehydrobromide
  • AC-27034
  • C20H24BrFN2O2
  • 5G2RC58G1K
  • Citadiol Hydrobromide (4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile Hydrobromide)
  • Q27262055
  • Citadiol hydrobromide
  • 4-[4-(dimethylamino)-1-(4'-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
  • AMY40957
  • AS-15377
  • SCHEMBL3623042
  • UNII-5G2RC58G1K
  • FT-0658033
  • AC-5999
  • SY316275
  • 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile monohydrobromide
  • 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile hbr
  • BCP14000
  • 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile;hydrobromide
  • CS-0144225
  • (R)-4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile hydrobromide;Citadiol HBr
  • 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-Benzonitrile hydrobromide (1:1); Citadiol Hydrobromide; (4RS)-4-[4-Cyano-2-(hydroxymethyl)phenyl]-4-(4-fluorophenyl)-4-hydroxy-N,N-dimethylbutan-1-aminium Hydrobromide; Escitalopram Oxalate Impurity E as Hydrobromide; Escitalopram Impurity E as Hydrobromide

MDL Number

MFCD08436978

Customs Code

2926909090

FAQ

What is 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide (CAS: 103146-26-5)?
4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide (CAS: 103146-26-5) is a bromide salt of a complex aromatic compound. It features a benzonitrile core with substituents including a dimethylamino group, a hydroxybutyl chain, and a fluorophenyl ring. The compound is characterized by its hydrobromide functionality, making it relevant in organic synthesis and pharmaceutical research.

What are the main uses of 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide (CAS: 103146-26-5)?
This compound is primarily used as an intermediate in pharmaceutical research, particularly in the development of drugs targeting neurological or metabolic pathways. It also serves in organic synthesis for creating complex molecules with tailored functionalities. Its unique structure makes it valuable for chemical modification studies and as a building block in specialized industrial applications.

Is 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide (CAS: 103146-26-5) safe?
Safety handling of this compound requires standard laboratory precautions due to its potential reactivity. It should be treated with gloves, goggles, and a fume hood to minimize exposure. While no specific toxicity data is widely available, adherence to general chemical safety protocols and proper disposal methods is essential. Always consult safety data sheets (SDS) for detailed guidelines.

How should 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide (CAS: 103146-26-5) be stored?
Store at room temperature (15-25°C) in a dry, airtight container to prevent moisture absorption. Protect from light and ensure storage away from incompatible substances. Maintain stable conditions to preserve the compound's integrity, and use a desiccator if necessary. Always check manufacturer recommendations for specific storage requirements.

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HuBeiXinKangYaoHuaYouXianGongSiHuaXueYanJiuSuo

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Shanghai Tengzhun BioScience Co., Ltd.

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HuBeiJuSheng Technology Co Ltd

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4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

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4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide — Shanghai Jixiang Biotechnology Co., Ltd.

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Hubei Yebang Technology Co., Ltd.

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