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Cas Database

Name	4-BROMOBUTYRONITRILE	EINECS	N/A
CAS No.	5332-06-9	Density	1.463g/cm³
PSA	23.79000	LogP	1.68508
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	N/A	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	Article Data	13

4-BROMOBUTYRONITRILE 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

: 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;

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

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