4-BROMOBUTYRONITRILE supplier

Name
4-BROMOBUTYRONITRILE
EINECS
CAS No. 5332-06-9
Article Data13
CAS DataBase
Density 1.463g/cm³
Solubility Miscible with toluene and benzene. Immiscible with water.
Melting Point 104-105 °C
Formula C4H6 Br N
Boiling Point 207°Cat760mmHg
Molecular Weight 148.002
Flash Point 103.9°C
Transport Information
Appearance Colorless to yellow liquid
Safety Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NO_x, CN⁻, and Br⁻. See also BROMIDES and NITRILES.
Risk Codes R20/21/22;
Molecular Structure
Hazard Symbols Xn
Synonyms Butyronitrile,4-bromo- (6CI,7CI,8CI); 1-Bromo-3-cyanopropane; 3-Bromopropyl cyanide;3-Cyanopropyl bromide; 4-Bromobutanenitrile; 4-Bromobutyronitrile; NSC 3972
PSA 23.79000
LogP 1.68508

Synthetic route

: 38694-47-2
4-bromobutyraldehyde

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
With HCl·DMPU; hydroxylamine hydrochloride In acetonitrile at 60℃;	76%

: 42879-03-8
4-bromobut-2-enenitrile

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
Hydrogenation; 4-bromo-buten-(2)-oic acid (1)-nitrile, higher-melting form;

: 64-17-5
ethanol

: 143-33-9
sodium cyanide

: 109-70-6
1,3-chlorobromopropane

A: 628-20-6
4-Chlorobutyronitrile

B: 5332-06-9
4-bromobutanenitrile

...Expand

: 143-33-9
sodium cyanide

: 109-70-6
1,3-chlorobromopropane

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
With ethanol

: 151-50-8
potassium cyanide

: 109-70-6
1,3-chlorobromopropane

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
With ethanol

: 143-33-9
sodium cyanide

: 109-64-8
1,3-dibromo-propane

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
With ethanol

: 151-50-8
potassium cyanide

: 109-64-8
1,3-dibromo-propane

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
With ethanol
With methanol

: 109-64-8
1,3-dibromo-propane

: 5332-06-9
4-bromobutanenitrile

: 628-20-6
4-Chlorobutyronitrile

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
With lithium bromide In various solvent(s) at 120℃; for 2h; Yield given;

higher-melting 4-bromo-crotononitrile: higher-melting 4-bromo-crotononitrile

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
With acetic acid ester; palladium Hydrogenation;

lower-melting 4-bromo-crotononitrile: lower-melting 4-bromo-crotononitrile

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
With acetic acid ester; palladium Hydrogenation;

: 151-50-8
potassium cyanide

: 109-64-8
1,3-dibromo-propane

A: 5332-06-9
4-bromobutanenitrile

B trimethylene dicyanide: trimethylene dicyanide

Conditions

Conditions	Yield
With ethanol; water Alkohol abdestillieren,Rueckstand mit Wasser versetzen und abgeschiedenes Oel fraktionieren;

...Expand

: 42879-03-8
4-bromobut-2-enenitrile

: 141-78-6
ethyl acetate

palladium: palladium

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
Hydrogenation; 4-bromo-buten-(2)-oic acid (1)-nitrile, lower-melting form;

...Expand

: 13064-64-7
2,5-diiodo-1,4-hydroquinone

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide In N,N-dimethyl-formamide

: potassium cyanide

: 109-70-6
1,3-chlorobromopropane

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
In ethanol; water for 2h; Reflux;	16.9 g

: 773837-37-9
sodium cyanide

: 109-64-8
1,3-dibromo-propane

: 5332-06-9
4-bromobutanenitrile

Conditions

Conditions	Yield
In methanol; water at 55℃; for 8h; Large scale;

: 156-87-6
propan-1-ol-3-amine

: 5332-06-9
4-bromobutanenitrile

: 159791-11-4
4-(3-Hydroxy-propylamino)-butyronitrile

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 20h; Heating;	100%
With potassium carbonate; sodium iodide In acetonitrile for 20h; Alkylation; Heating;	6.70 g

: 35386-24-4
1-(2-Methoxyphenyl)piperazine

: 5332-06-9
4-bromobutanenitrile

: 25024-99-1
4‐[4‐(2‐methoxyphenyl)piperazin‐1‐yl]butannitrile

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetone for 8h; Reflux;	100%
With potassium carbonate; potassium iodide In acetone at 20℃; Reflux;	100%
With sodium hydrogencarbonate In acetonitrile for 16h; Reflux;	99%

: 4-(4-fluorophenyl)piperidine hydrochloride

: 5332-06-9
4-bromobutanenitrile

: 721958-42-5
4-[4-(4-fluorophenyl)-1-piperidinyl]butanenitrile

Conditions

Conditions	Yield
With caesium carbonate; sodium iodide In acetonitrile at 60℃; for 24h;	100%

: 532-32-1
sodium benzoate

: 5332-06-9
4-bromobutanenitrile

: 75272-93-4
4-benzoyloxybutyronitrile

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate In acetone for 4h; Molecular sieve; ethanol;	100%

: 4068-78-4
methyl 5-chloro-2-hydroxybenzoate

: 5332-06-9
4-bromobutanenitrile

: 1251927-29-3
methyl 5-chloro-2-(3-cyanopropoxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone for 48h; Reflux;	100%

: 87120-72-7
1-(tert-butoxycarbonyl)-4-aminopiperidine

: 5332-06-9
4-bromobutanenitrile

: 4-(3-cyano-propylamino)-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 48h; Reflux;	100%

: 144222-22-0
tert-butyl 4-(aminomethyl)piperidine-1-carboxylate

: 5332-06-9
4-bromobutanenitrile

: 1448687-26-0
C15H27N3O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 48h; Reflux;	100%

: 4-[(5-methyl-3-phenylisoxazol-4-yl)methoxy]benzoic acid

: 5332-06-9
4-bromobutanenitrile

: 3-cyanopropyl 4-[(5-methyl-3-phenylisoxazol-4-yl)methoxy]benzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 96h; Inert atmosphere; Sealed tube;	100%

: 670-96-2
2-Phenylimidazole

: 5332-06-9
4-bromobutanenitrile

: 198549-12-1
4-(2-phenyl-1H-imidazol-1-yl)butanenitrile

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide	99%
Stage #1: 2-Phenylimidazole With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.25h; Stage #2: 4-bromobutanenitrile In N,N-dimethyl-formamide at 20℃;	99%
Stage #1: 2-Phenylimidazole With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere; Stage #2: 4-bromobutanenitrile In N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere;

: 3964-57-6
methyl 4-hydroxy-3-chlorobenzoate

: 5332-06-9
4-bromobutanenitrile

: 3-chloro-4-(4-nitrilobutoxy)-benzoic acid methyl ester

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide; butanone for 24h; Heating / reflux;	99%

: 15532-75-9
1-(3-Trifluoromethylphenyl)piperazine

: 5332-06-9
4-bromobutanenitrile

: 4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butanenitrile

Conditions

Conditions	Yield
Stage #1: 1-(3-Trifluoromethylphenyl)piperazine With potassium carbonate; potassium iodide In acetonitrile at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: 4-bromobutanenitrile In acetonitrile for 14h; Sealed tube; Reflux; Inert atmosphere;	99%
With potassium carbonate In acetonitrile Heating / reflux;	97%
With potassium carbonate In acetonitrile Reflux;	97%

: 5332-06-9
4-bromobutanenitrile

: 5188-07-8
sodium thiomethoxide

: 59121-24-3
4-(methylthio)butyronitrile

Conditions

Conditions	Yield
In methanol	99%
In methanol at 20℃;	93%
In methanol for 7h; Reflux;	89%

: 1013-25-8
1-(2,5-dimethylphenyl)piperazine

: 5332-06-9
4-bromobutanenitrile

: 1181802-58-3
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]butanenitrile

Conditions

Conditions	Yield
With sodium hydrogencarbonate In acetonitrile for 16h; Reflux;	99%

: 263390-44-9
2-(3-bromophenylthio)pyridine-3-ol

: 5332-06-9
4-bromobutanenitrile

: 1452773-17-9
4-(2-(3-bromophenylthio)pyridin-3-yloxy)butanenitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 5h; Mitsunobu Displacement;	99%

: 16732-70-0
ethyl 5-bromoindolecarboxylate

: 5332-06-9
4-bromobutanenitrile

: 1513681-57-6
ethyl 5-chloro-1-(3-cyanopropyl)-1H-indole-2-carboxylate

Conditions

Conditions	Yield
Stage #1: ethyl 5-bromoindolecarboxylate With caesium carbonate In acetonitrile at 20℃; for 0.5h; Stage #2: 4-bromobutanenitrile In acetonitrile at 20℃;	99%

: 5930-92-7
Ethyl 4-nitropyrrole-2-carboxylate

: 5332-06-9
4-bromobutanenitrile

: 1575816-22-6
ethyl 4-nitro-1-(3-cyanopropyl)pyrrole-2-carboxylate

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetone for 0.5h; Reflux;	99%

: 4792-67-0
5-chloro-indole-2-carboxylic acid ethyl ester

: 5332-06-9
4-bromobutanenitrile

: 1513681-57-6
ethyl 5-chloro-1-(3-cyanopropyl)-1H-indole-2-carboxylate

Conditions

Conditions	Yield
Stage #1: 5-chloro-indole-2-carboxylic acid ethyl ester With caesium carbonate In acetonitrile at 25℃; for 0.5h; Stage #2: 4-bromobutanenitrile In acetonitrile at 25℃;	99%
With caesium carbonate In acetonitrile at 20℃;	99%
Stage #1: 5-chloro-indole-2-carboxylic acid ethyl ester With caesium carbonate In acetonitrile for 0.5h; Stage #2: 4-bromobutanenitrile In acetonitrile at 20℃;	99%

: 100-02-7
4-nitro-phenol

: 5332-06-9
4-bromobutanenitrile

: 99072-20-5
4-(4-nitrophenoxy)butanenitrile

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Reflux;	99%

: 120-83-2
2,4-dichlorophenol

: 5332-06-9
4-bromobutanenitrile

: 63867-25-4
4-(2,4-dichlorophenoxy)butanenitrile

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Reflux;	99%

: 5332-06-9
4-bromobutanenitrile

: 5500-21-0
cyclopropropanecarbonitrile

Conditions

Conditions	Yield
With sodium In ethylene glycol at 20 - 50℃; for 0.25h; Temperature; Solvent; Reagent/catalyst;	98%
With ammonia; sodium amide; ferric nitrate
With tetra(n-butyl)ammonium hydroxide In xylene at 40℃;

: 288-32-4
1H-imidazole

: 5332-06-9
4-bromobutanenitrile

: 72338-63-7
4-imidazol-1-ylbutyronitrile

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide	98%
Stage #1: 1H-imidazole With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.25h; Stage #2: 4-bromobutanenitrile In N,N-dimethyl-formamide at 20℃;	98%
With sodium methylate 1.) DMF, RT, 30 min, 2.) DMF, a) RT, 30 min, b) reflux, 1 h; Yield given. Multistep reaction;

: 163083-82-7
3-((naphthalen-2-ylmethyl)amino)propan-1-ol

: 5332-06-9
4-bromobutanenitrile

: 163083-83-8
N-(3-cyanopropyl)-N-(2-naphthylmethyl)-3-amino-1-propanol

Conditions

Conditions	Yield
With triethylamine In toluene for 3.5h; Alkylation; Heating;	98%

: 84365-04-8
5'-acetylthio-5'-deoxy-2',3'-O-isopropylidene adenosine

: 5332-06-9
4-bromobutanenitrile

: 263715-53-3
5'-[3-(cyano)propylthio]-5'-deoxy-2',3'-O-isopropylideneadenosine

Conditions

Conditions	Yield
With sodium methylate In water at 20℃; for 3.5h; Alkylation;	98%

: 5332-06-9
4-bromobutanenitrile

: 304863-12-5
1,6,11,16-tetrakis(mesitylenesulfonyl)-6,11,16-tetraaza-1-heptadecylamine

: 304863-14-7
3,8,13,18-tetrakis(mesitylenesulfonyl)-3,8,13,18-tetraazaheneicosanecyanide

Conditions

Conditions	Yield
Stage #1: 1,6,11,16-tetrakis(mesitylenesulfonyl)-6,11,16-tetraaza-1-heptadecylamine With sodium hydride In N,N-dimethyl-formamide for 0.5h; Stage #2: 4-bromobutanenitrile In N,N-dimethyl-formamide at 22℃; for 18h;	98%

: 110-89-4
piperidine

: 5332-06-9
4-bromobutanenitrile

: 4672-18-8
4-(piperidin-1-yl)butyronitrile

Conditions

Conditions	Yield
In toluene at 55 - 80℃;	98%
With potassium carbonate; potassium iodide In acetonitrile at 20℃; for 18h;
In toluene at 10 - 60℃;
In toluene at 55 - 80℃;

: 106-48-9
4-chloro-phenol

: 5332-06-9
4-bromobutanenitrile

: 501941-41-9
4-(4-chlorophenoxy)butanenitrile

Conditions

Conditions	Yield
With potassium carbonate In acetone for 24h; Heating;	98%
With potassium carbonate In acetone for 20h; Reflux;	85%

: 1011-15-0
1-(o-fluorophenyl)piperazine

: 5332-06-9
4-bromobutanenitrile

: 883874-55-3
4-(4-(2-fluorophenyl)piperazin-1-yl)butyronitrile

Conditions

Conditions	Yield
Stage #1: 1-(o-fluorophenyl)piperazine; 4-bromobutanenitrile With potassium carbonate In acetonitrile for 10h; Heating / reflux; Stage #2: With hydrogenchloride In water; ethyl acetate Stage #3: With ammonia In water pH=11;	98%
With potassium carbonate; potassium iodide In acetonitrile Heating / reflux;	93%
With potassium carbonate; potassium iodide In acetonitrile for 8h; Heating;	84%
With potassium carbonate; potassium iodide In acetonitrile Reflux;

: 6-benzyloxy-2-(4-hydroxyphenyl)-3-[4-[2-(1-pyrrolidinyl)ethoxy]benzyl]benzo[b]thiophene

: 5332-06-9
4-bromobutanenitrile

: 6-benzyloxy-3-[4-[2-(1-pyrrolidinyl)ethoxy]benzyl]-2-[4-(3-cyanopropyloxy)phenyl]benzo[b]thiophene

Conditions

Conditions	Yield
With caesium carbonate In water; N,N-dimethyl-formamide	98%
With caesium carbonate In water; N,N-dimethyl-formamide	98%

: 120991-78-8
1-(7-methoxy-1-naphthalenyl)piperazine

: 5332-06-9
4-bromobutanenitrile

: 4-[4-(7-Methoxy-1-naphthyl)piperazino]butyronitrile

Conditions

Conditions	Yield
	98%

: 767-00-0
4-cyanophenol

: 5332-06-9
4-bromobutanenitrile

: 4-(4-cyanophenoxy)butanenitrile

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Reflux;	98%

4-BROMOBUTYRONITRILE Chemical Properties

IUPAC Name: 4-Bromobutanenitrile
Synonyms: Trimethylene bromocyanide ; 1-Bromo-3-cyanopropane ; 3-Bromopropyl cyanide ; 3-Bromopropylcyanide ; 3-Cyanopropyl bromide ; 3-Cyanopropylbromide ; 4-Bromo-butanenitril ; Butyronitrile, 4-bromo-
Product Categories: Aliphatics;Halides;C1 to C5;Cyanides/Nitriles;Nitrogen Compounds
CAS NO: 5332-06-9
Molecular Formula: C₄H₆BrN
Molecular Weight: 148
Molecular Structure:
EINECS: 226-236-6
BRN :956577
Mol File: 5332-06-9.mol
Index of Refraction: 1.47
Surface Tension: 38.3 dyne/cm
Density: 1.463 g/cm³
Flash Point: 103.9 °C
Enthalpy of Vaporization: 44.33 kJ/mol
Boiling Point: 207 °C at 760 mmHg
Vapour Pressure: 0.23 mmHg at 25°C
Storage temp. 2-8°C
Appearance: 4-Bromobutanenitrile (CAS NO. 5332-06-9) is colorless to yellow liquid.

4-BROMOBUTYRONITRILE Toxicity Data With Reference

ipr-mus LD50:100 mg/kg

NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .

4-BROMOBUTYRONITRILE Consensus Reports

Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.

4-BROMOBUTYRONITRILE Safety Profile

Hazard Codes Harmful Xn
Risk Statements 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements 36/37
S36/37:Wear suitable protective clothing and gloves.
RIDADR UN 3276 6.1/PG 2
WGK Germany 3
RTECS ET8925000
F 9
HazardClass 6.1
PackingGroup III

4-BROMOBUTYRONITRILE Specification

Category: Toxic Substances
Toxicity classification: 4-Bromobutanenitrile (CAS NO. 5332-06-9) is highly toxic
Acute toxicity: intraperitoneal - mouse LD50: 100 mg / kg
Flammable hazardous characteristics: thermal decomposition of toxic discharges of cyanide, nitrogen oxides, bromides smoke
Storage features: Treasury ventilation, low temperature, dry; Keep 4-Bromobutanenitrile (CAS NO. 5332-06-9) separately from food raw materials.
Fire-extinguishing agents: water, foam, carbon dioxide, dry powder, sand

Product Name

4-BROMOBUTYRONITRILE

Synthetic route

4-BROMOBUTYRONITRILE Chemical Properties

4-BROMOBUTYRONITRILE Toxicity Data With Reference

4-BROMOBUTYRONITRILE Consensus Reports

4-BROMOBUTYRONITRILE Safety Profile

4-BROMOBUTYRONITRILE Specification

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