2-Chlorbenzonitril

Bezeichnung:2-Chlorbenzonitril

CAS-Nr873-32-5

Englisch Name:2-Chlorobenzonitrile

CBNumberCB6484338

SummenformelC7H4ClN

Molgewicht137.57

MOL-Datei873-32-5.mol

Synonyma

2-Chlorbenzonitril

2-Chlorbenzonitril physikalisch-chemischer Eigenschaften

Schmelzpunkt	43-46 °C(lit.)
Siedepunkt	232 °C(lit.)
Dichte	1,18 g/cm³
Brechungsindex	1.4530 (estimate)
Flammpunkt	227 °F
storage temp.	Store below +30°C.
Löslichkeit	1g/l
Aggregatzustand	Crystalline Solid
Farbe	White to very slightly yellow
BRN	1363916
Expositionsgrenzwerte	NIOSH: IDLH 25 mg/m3
InChIKey	NHWQMJMIYICNBP-UHFFFAOYSA-N
CAS Datenbank	873-32-5(CAS DataBase Reference)
NIST chemische Informationen	2-Chlorobenzoic acid nitrile(873-32-5)
EPA chemische Informationen	Benzonitrile, 2-chloro- (873-32-5)

Sicherheit

Kennzeichnung gefährlicher	Xn,Xi
R-Sätze:	21/22-36-21/22/23
S-Sätze:	23
RIDADR	3439
WGK Germany	2
RTECS-Nr.	DI2625000
Hazard Note	Harmful/Irritant
TSCA	Yes
HazardClass	6.1
PackingGroup	III
HS Code	29269095

Gefahreninformationscode (GHS)

2-Chlorobenzonitrile Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R21/22:Gesundheitsschädlich bei Berührung mit der Haut und beim Verschlucken.
R36:Reizt die Augen.
S-Sätze Betriebsanweisung:
S23:Gas/Rauch/Dampf/Aerosol nicht einatmen(geeignete Bezeichnung(en) vom Hersteller anzugeben).
Chemische Eigenschaften
white to light yellow crystal powder. 2-Chlorobenzonitrile [873-32-5], 2-chloro1-cyanobenzene, Mr 137.57, mp 44.8℃, bp (101.3 kPa) 232℃, bp (1.6 kPa) 111.5℃, forms colorless crystals that readily sublime. The crystals are readily soluble in organic solvents, only sparingly soluble in water, and steam volatile.
Verwenden
Intermediate for the synthesis of agrochemicals, pharmaceuticals and chemical intermediates. 2-Chlorobenzonitrile is mainly used in the synthesis of dye intermediates 2-cyano-4-nitroaniline, and in the pharmaceutical industry for the synthesis of new anti-malarial drugs such as nitroquine.
Verwenden
2-Chlorobenzonitrile is an activated aryl chloride that is commonly used in reactions that involve the Palladium-catalyzed direct arylation of heteroaromatics (e.g. 3-aminopicolinic acid [A627800]). 2-Chlorobenzonitrile and its substituted derivatives (e.g. 2,3-dichloro-6-nitrobenzonitrile [2112-22-3]) also have potential anti-inflammatory properties.
synthetische
2-chlorobenzonitrile is obtained by the reaction of o-chlorobenzoic acid and urea: o-chlorobenzoic acid, sulfamic acid and urea are mixed and heated to about 140℃ and melted, then reacted vigorously under stirring, and a large amount of gas is released, and the temperature automatically rises to 220-230℃ for 2h. Then it is cooled to below 15℃, filtered, and the solids obtained are washed with 3% ammonia and water to neutral, then dried and the finished products are obtained.
Flammability and Explosibility
Not classified
Sicherheitsprofil
Poison by intraperitoneal route. Moderately toxic by ingestion. An eye irritant. When heated to decomposition or on contact with water, steam, acid, or acid fumes it emits toxic fumes of Cland CN-. See also NITRILES.
Synthese

This embodiment includes the following steps: Step 1. Add 14.3g (0.1mol) o-chlorobenzyl alcohol, 3.7g copper-manganese composite catalyst and 1.6g (0.01mol) 2,2,6,6-tetramethylpiperidine oxide into the reaction kettle, Then add an alcohol-water mixed solution made by mixing 33 mL of ethanol and 66 mL of deionized water, Pour ammonia gas into the reactor until the ammonia gas pressure in the reactor is 0.2MPa, and then close the ammonia gas inlet valve. Continue to feed oxygen into the reaction kettle to a pressure of 0.4MPa, and then continue to supply oxygen at this pressure; The copper-manganese composite catalyst consists of 1.7 g (0.01 mol) copper chloride dihydrate and 2.0 g (0.01 mol) manganese chloride tetrahydrate; Turn on the magnetic stirring device in the reaction kettle, and at the same time heat it to the temperature of the system in the reaction kettle at 40??C to perform ammonia oxidation reaction for 4 hours After the reaction is over, the pressure of the reactor is relieved, the product system after the ammoxidation reaction is cooled to 5??C, and 14.0 g of off-white needle-like solids are obtained by suction filtration, namely crude o-chlorobenzonitrile; Step 2: Using 28 mL of alcohol-water mixed solution to recrystallize 14.0 g of the crude o-chlorobenzonitrile obtained in step 1, to obtain white needle-like crystals, namely o-chlorobenzonitrile; The alcohol-water mixed solution is formed by mixing ethanol and deionized water in a volume ratio of 1:2. The o-chlorobenzonitrile prepared in this example was dried and weighed 13.3g; after calculation, The yield of the o-chlorobenzonitrile prepared in this example was 97.1%, and the mass purity of the o-chlorobenzonitrile prepared in the example was 97.5% as determined by gas chromatography.
läuterung methode
Crystallise the nitrile to a constant melting point from *benzene/pet ether (b 40-60o). [Beilstein 9 IV 965.]

2-Chlorobenzonitrile Upstream-Materialien And Downstream Produkte

2-Chlorbenzonitril Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

873-32-5, 2-Chlorobenzonitrile Verwandte Suche:

Send Inquriy