1-(difluoromethyl)-3-isocyanatobenzene CAS 27181-22-2
| CAS No. | 27181-22-2 |
| Molecular Formula | C8H5F2NO |
| Molecular Weight | 169.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-(difluoromethyl)-3-isocyanatobenzene.
1-(difluoromethyl)-3-isocyanatobenzene (CAS 27181-22-2) is a high-purity analytical reference standard with the molecular formula C8H5F2NO and a molecular weight of 169.13 g/mol.
The molecular framework of 1-(difluoromethyl)-3-isocyanatobenzene (C8H5F2NO) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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-(difluoromethyl)-3-isocyanatobenzene 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 | C8H5F2NO |
| Molecular Weight | 169.13 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, water (slightly soluble) |
| 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.) | 1964 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related difluoromethyl Standards
- 2-(Difluoromethyl)-3H-imidazo[4,5-b]pyridine (CAS 1247527-34-9)
- 2-(Difluoromethyl)-4-hydroxybenzonitrile (CAS 1261618-09-0)
- 4-(Difluoromethyl)-2-hydroxybenzonitrile (CAS 1261644-37-4)
- 5-(Difluoromethyl)-2-hydroxybenzonitrile (CAS 1261673-02-2)
- 1-(Difluoromethyl)-4-isocyanatobenzene (CAS 76729-40-3)
- 3-(Difluoromethyl)-5-hydroxybenzonitrile (CAS 874974-85-3)
- 5-(Difluoromethyl)indoline (CAS 1557656-96-8)
- 5-(Difluoromethyl)isoindoline (CAS 1782541-77-8)
Recommended Standards
- 1-(Azidomethyl)-3,5-difluorobenzene (CAS 622372-77-4)
- 1-(azidomethyl)-2,4-difluorobenzene (CAS 622372-75-2)
- 1,2-difluoro-4-(isocyanatomethyl)benzene (CAS 866538-73-0)
- 1-(Azidomethyl)-2,3-difluorobenzene (CAS 864528-03-0)
- 4-Bromo-2-iodo-N-methylaniline (CAS 869486-64-6)
- (4-Amino-1,2,5-oxadiazol-3-yl)(phenyl)methanone (CAS 10425-39-5)
- KU 59403 (CAS 845932-30-1)
- 5,8-Difluoro-1,2,3,4-tetrahydronaphthalen-1-amine (CAS 907973-51-7)
- Methyl 2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinoline]-6'-carboxylate (CAS 1203682-98-7)
- 1,8-Dihydroimidazo[4,5-g]indole (CAS 105410-18-2)
- 2-(4-Bromophenyl)-2,3-dihydro-1H-indole (CAS 900641-85-2)
- 2-(5-Chlorothiophen-2-yl)-3-methylbutan-2-ol (CAS 1379317-23-3)
- 3’,4’-Dibromoacetophenone (CAS 3114-30-5)
- D-Ser32-Tirzepatide (CAS CATO-CPTD788692)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com