3-Chloro-2-fluoro-6-iodobenzonitrile CAS 1000577-68-3
| CAS No. | 1000577-68-3 |
| Molecular Formula | C7H2ClFIN |
| Molecular Weight | 281.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 281.45 g/mol gives 3-Chloro-2-fluoro-6-iodobenzonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-Chloro-2-fluoro-6-iodobenzonitrile (CAS 1000577-68-3), molecular formula C7H2ClFIN and molecular weight 281.45 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Chloro-2-fluoro-6-iodobenzonitrile (C7H2ClFIN) contains a nitrile group, fluorine/chlorine/iodine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 281.45 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C7H2ClFIN |
| Molecular Weight | 281.45 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F/Cl/I-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
- 2-Chloro-3-fluoro-4-iodobenzonitrile (CAS 1114547-55-5)
- 2-Chloro-6-fluoro-3-iodobenzonitrile (CAS 1374574-53-4)
- 2-Chloro-4-fluoro-3-iodobenzonitrile (CAS 899821-28-4)
- 3-Chloro-4-iodobenzamide (CAS 1255784-49-6)
- 2-Chloro-4-iodobenzamide (CAS 1261669-96-8)
- 2-Chloro-6-iodobenzamide (CAS 1261686-40-1)
- 1-(2-Chloro-6-iodopyridin-4-yl)ethan-1-one (CAS 1393546-23-0)
- 1-(4-Chloro-6-iodopyridin-2-yl)ethan-1-one (CAS 1393570-01-8)
Recommended Standards
- (2E,4E,6E,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenenitrile 13-cis-Retinonitrile 20638-89-5 (CAS 20638-89-5)
- (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenenitrile 20638-88-4 all-trans-Retinonitrile all-trans-Vitamin A Nitrile (CAS 20638-88-4)
- Ropivacaine-d7 (CAS 684647-62-9)
- N-Octyl-N-phenylaniline (CAS 86-25-9)
- N-(5-Isopropyl-1H-1,2,4-triazol-3-yl)-2-methylpropanamide (CAS 1160264-38-9)
- 2-{[(3-phenoxyphenyl)methyl]amino}acetamide (CAS 926243-19-8)
- 2-(4-(4-Iodophenyl)-1H-pyrazol-1-yl)acetonitrile (CAS 1394023-17-6)
- 4-Cyano-2-(difluoromethyl)-3-methoxypyridine (CAS 1805202-45-2)
- 6-Bromo-4-fluoropyridin-3-amine (CAS 1806995-29-8)
- 1-ethynylcubane (CAS 163332-93-2)
- Ethyl 4-amino-5-methylthiophene-2-carboxylate (CAS 1248109-35-4)
- 4-(Dimethylamino)pyridin-2(1H)-one (CAS 65491-43-2)
- 3-Bromo-1,5-naphthyridin-2(1H)-one (CAS 859986-64-4)
- Palmitoyl Tripeptide-8 TFA salt (CAS 936544-53-5)
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