Product Number: 40018255
CAS Registry Number 40018-25-5
Name:
Benzenepropanenitrile, 2-chloro-β-oxo-
Acetonitrile, (o-chlorobenzoyl)- (7CI)
(2-Chlorophenyl)cyanomethyl ketone
2-Chlorobenzoylacetonitrile
3-(2-Chlorophenyl)-3-oxopropanenitrile
3-Oxo-3-(2-chlorophenyl)propanenitrile
Chemical Formula: C9H6ClNO
Exact Mass: 179.01
Molecular Weight: 179.60
m/z: 179.01 (100.0%), 181.01 (32.0%), 180.02 (9.8%), 182.01 (3.2%)
InChI:InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2
InChI Key:SBSWHTFHLWSSQS-UHFFFAOYSA-N
Canonical SMILES:C1=CC=C(C(=C1)C(=O)CC#N)Cl
| Thermal Properties |
Value |
Condition |
Note |
| Melting Point |
102 °C |
|
(2)CAS |
| Melting Point |
101 °C |
Solv: ethanol (64-17-5) |
(3)CAS |
| Melting Point |
59-60 °C |
|
(4)IC |
| Melting Point |
56-57 °C |
|
(2)CAS |
| Melting Point |
50-54 °C |
|
(5)IC |
| Melting Point |
50-54 °C |
|
(6)IC |
|
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