1,1-difluoro-4-isocyanocyclohexane CAS 1000698-98-5
| CAS No. | 1000698-98-5 |
| Molecular Formula | C7H9F2N |
| Molecular Weight | 145.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 145.15 g/mol gives 1,1-difluoro-4-isocyanocyclohexane distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 1,1-difluoro-4-isocyanocyclohexane (CAS 1000698-98-5), a certified reference material (molecular formula C7H9F2N, MW 145.15 g/mol) for analytical method development and quality control.
Structurally, 1,1-difluoro-4-isocyanocyclohexane (C7H9F2N) contains a nitrile group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 145.15 g/mol, it falls into the low-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 1,1-difluoro-4-isocyanocyclohexane under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C7H9F2N |
| Molecular Weight | 145.15 g/mol |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 1-phenylpyrrolidin-2-one 2-pyrrolidinone, 1-phenyl- 4641-57-0 InChI=1/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H (CAS 4641-57-0)
- (7-Chloronaphthalen-1-yl)methanamine (CAS 703394-90-5)
- 2-(Adamantan-1-yl)-2-oxoacetic Acid (CAS 16091-98-8)
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