Product Number: 939800
CAS Registry Number 939-80-0
Name:
Benzonitrile, 4-chloro-3-nitro-
2-Chloro-5-cyanonitrobenzene
3-Nitro-4-chlorobenzonitrile
4-Chloro-3-nitrobenzenenitrile
4-Chloro-3-nitrobenzonitrile
4-Cyano-2-nitro-1-chlorobenzene
Chemical Formula: C7H3ClN2O2
Exact Mass: 181.99
Molecular Weight: 182.56
m/z: 181.99 (100.0%), 183.99 (32.4%), 182.99 (8.4%), 184.99 (2.5%)
InChI:InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChI Key:XBLPHYSLHRGMNW-UHFFFAOYSA-N
Canonical SMILES:C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl
| Thermal Properties |
Value |
Condition |
Note |
| Melting Point |
110 °C |
|
(8)CAS |
| Melting Point |
101 °C |
|
(9)CAS |
| Melting Point |
100-101 °C |
|
(10)CAS |
| Melting Point |
100 °C |
|
(11)IC |
| Melting Point |
99-100 °C |
|
(5)IC |
| Melting Point |
98-101 °C |
Solv: ethanol (64-17-5) |
(4)CAS |
| Melting Point |
97-98 °C |
|
(12)IC |
| Melting Point |
96 °C |
|
(13)CAS |
|
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