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5332-06-9

Basic Information
CAS No.: 5332-06-9
Name: 4-BROMOBUTYRONITRILE
Article Data: 13
Molecular Structure:
Molecular Structure of 5332-06-9 (4-BROMOBUTYRONITRILE)
Formula: C4H6 Br N
Molecular Weight: 148.002
Synonyms: Butyronitrile,4-bromo- (6CI,7CI,8CI); 1-Bromo-3-cyanopropane; 3-Bromopropyl cyanide;3-Cyanopropyl bromide; 4-Bromobutanenitrile; 4-Bromobutyronitrile; NSC 3972
Density: 1.463g/cm3
Melting Point: 104-105 °C
Boiling Point: 207°Cat760mmHg
Flash Point: 103.9°C
Solubility: Miscible with toluene and benzene. Immiscible with water.
Appearance: Colorless to yellow liquid
Hazard Symbols: Xn
Risk Codes: R20/21/22;
Safety: Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx, CN, and Br. See also BROMIDES and NITRILES.
PSA: 23.79000
LogP: 1.68508
Synthetic route
38694-47-2

4-bromobutyraldehyde

5332-06-9

4-bromobutanenitrile

Conditions
ConditionsYield
With HCl·DMPU; hydroxylamine hydrochloride In acetonitrile at 60℃;76%
42879-03-8

4-bromobut-2-enenitrile

5332-06-9

4-bromobutanenitrile

Conditions
ConditionsYield
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

143-33-9

sodium cyanide

109-70-6

1,3-chlorobromopropane

5332-06-9

4-bromobutanenitrile

Conditions
ConditionsYield
With ethanol
151-50-8

potassium cyanide

109-70-6

1,3-chlorobromopropane

5332-06-9

4-bromobutanenitrile

Conditions
ConditionsYield
With ethanol
143-33-9

sodium cyanide

109-64-8

1,3-dibromo-propane

5332-06-9

4-bromobutanenitrile

Conditions
ConditionsYield
With ethanol
151-50-8

potassium cyanide

109-64-8

1,3-dibromo-propane

5332-06-9

4-bromobutanenitrile

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With acetic acid ester; palladium Hydrogenation;
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Chemistry

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.

Toxicity Data With Reference

1.    

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 .

Consensus Reports

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

Safety Profile

Hazard Codes HarmfulXn
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

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