| Identification | More | [Name]
3-CHLOROBENZOYLACETONITRILE | [CAS]
21667-62-9 | [Synonyms]
3-(3-CHLOROPHENYL)-3-OXOPROPANENITRILE
3-CHLOROBENZOYLACETONITRILE
BUTTPARK 94\04-22
3-Chloro-β-oxobenzenepropanenitrile, 3-Chlorophenacyl cyanide, 3-Oxo-3-(3-chlorophenyl)propionitrile
3-Chloro-β-oxobenzenepropanenitrile
3-Oxo-3-(3-chlorophenyl)propiononitrile
m-Chlorophenacyl cyanide
β-Oxo-3-chlorobenzenepropanenitrile | [EINECS(EC#)]
626-892-7 | [Molecular Formula]
C9H6ClNO | [MDL Number]
MFCD00067891 | [Molecular Weight]
179.6 | [MOL File]
21667-62-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
79-83 °C | [Boiling point ]
347.1±27.0 °C(Predicted) | [density ]
1.257±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
7.12±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [BRN ]
2414476 | [InChI]
InChI=1S/C9H6ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2 | [InChIKey]
IUDFNNHFARLIPF-UHFFFAOYSA-N | [SMILES]
C1(=CC=CC(Cl)=C1)C(=O)CC#N | [CAS DataBase Reference]
21667-62-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302+H312+H332 | [Precautionary statements ]
P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
3276 | [WGK Germany ]
3 | [Hazard Note ]
Harmful/Irritant | [HazardClass ]
IRRITANT | [PackingGroup ]
III | [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Uses]
3-Chlorobenzoylacetonitrile is mainly used for organic synthesis and scientific research.
| [Synthesis]
3-Chlorobenzoylacetonitrile can be synthesized by carbonylation of aryl iodides with Mo(CO)6 in the presence of trimethylsilylacetonitrile and a palladium catalyst.1
| [References]
[1]Aldeborgh, H., George, K., Howe, M. et al. Analysis of Small Molecule X-Ray Crystal Structures: Chemical Crystallography with Undergraduate Students in a Teaching Laboratory. J Chem Crystallogr 44, 70–81 (2014). https://doi.org/10.1007/s10870-013-0485-z
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| 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 |
|