| Identification | More | [Name]
2-Chlorobenzonitrile | [CAS]
873-32-5 | [Synonyms]
2-CHLOROBENZOIC ACID NITRILE
2-CHLOROBENZONITRILE
CHLOROBENZONITRILE(2-)
LABOTEST-BB LT01147835
OCBN
O-CHLOROBENZONITRILE
2-Chlorbenzoesαurenitril
2-Chlorbenzonitril
2-chloro-benzonitril
2-Chlorophenylcyanide
Benzonitrile, 2-chloro-
Benzonitrile, o-chloro-
Benzonitrile,2-chloro-
Nitril kyseliny o-chlorbenzoove
nitrilkyselinyo-chlorbenzoove
o-Chlorbenzonitril
o-chloro-benzonitril
o-Chlorocyanobenzene
o-Cyanochlorobenzene
2-Cholorobenzonitrile | [EINECS(EC#)]
212-836-5 | [Molecular Formula]
C7H4ClN | [MDL Number]
MFCD00001779 | [Molecular Weight]
137.57 | [MOL File]
873-32-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
43-46 °C(lit.)
| [Boiling point ]
232 °C(lit.)
| [density ]
1,18 g/cm3 | [refractive index ]
1.4530 (estimate) | [Fp ]
227 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
1g/l | [form ]
Crystalline Solid | [color ]
White to very slightly yellow | [Detection Methods]
GC | [BRN ]
1363916 | [Exposure limits]
NIOSH: IDLH 25 mg/m3 | [InChI]
1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H | [InChIKey]
NHWQMJMIYICNBP-UHFFFAOYSA-N | [SMILES]
Clc1ccccc1C#N | [CAS DataBase Reference]
873-32-5(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Chlorobenzoic acid nitrile(873-32-5) | [EPA Substance Registry System]
873-32-5(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H302-H311-H319-H412 | [Precautionary statements ]
P264-P273-P280-P301+P312-P302+P352+P312-P305+P351+P338 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R21/22:Harmful in contact with skin and if swallowed .
R36:Irritating to the eyes. | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [RIDADR ]
3439 | [WGK Germany ]
2
| [RTECS ]
DI2625000
| [Hazard Note ]
Harmful/Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269095 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Dermal
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Irrit. 2 | [Safety Profile]
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. |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
Intermediate for the synthesis of agrochemicals, pharmaceuticals and chemical intermediates. | [Preparation]
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]
Notclassified | [Synthesis]
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. | [Purification Methods]
Crystallise the nitrile to a constant melting point from *benzene/pet ether (b 40-60o). [Beilstein 9 IV 965.] |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|