1,2,4-trideuterio-3,5-diisocyanato-6-(trideuteriomethyl)benzene CAS 1398066-04-0
| CAS No. | 1398066-04-0 |
| Molecular Formula | - |
| Molecular Weight | 186.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 1,2,4-trideuterio-3,5-diisocyanato-6-(trideuteriomethyl)benzene meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
CATO supplies 1,2,4-trideuterio-3,5-diisocyanato-6-(trideuteriomethyl)benzene (CAS 1398066-04-0), a certified reference material (molecular formula C9H6D6N2O2, MW 186.24 g/mol) for analytical method development and quality control.
Structurally, 1,2,4-trideuterio-3,5-diisocyanato-6-(trideuteriomethyl)benzene (C9H6D6N2O2) contains deuterium isotope labeling, an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 186.24 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C9H6D6N2O2 |
| Molecular Weight | 186.24 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Nitrogen Atoms | 2 |
Related trideuterio Standards
- 2,2,2-trideuterio-1-(1-naphthyl)ethanone (CAS 95046-87-0)
- 3,3,3-Trideuterio-1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one (CAS 1346601-42-0)
- (E)-6,6,6-Trideuterio-4-hydroxyhex-2-enal (CAS 148706-05-2)
- 2,3,3-trideuterio-2-hydroxy-butanoic acid (CAS 1219908-73-2)
- Trideuterio(tetrahydrofuran)boron (CAS 96220-57-4)
- 1,1,1-trideuterio-N-methyl-N-(trideuteriomethyl)methanamine (CAS 16585-35-6)
Recommended Standards
- Carbimazole (CAS 22232-54-8)
- 2,5-Dimethoxy-d (CAS 58262-07-0)
- O,O-Diethyl Dithiophosphate (CAS 298-06-6)
- 3-Nitro-5-(trimethylsilyl)isoxazole (CAS 96914-20-4)
- 5-Bromopyrrolo[1,2-b]pyridazine (CAS 1935307-88-2)
- Acetylthiocholine Chloride (CAS 6050-81-3)
- (2S,3R,4R,5R)-2-(2-Nitrophenoxy)-5-((triethylsilyl)oxy)tetrahydro-2H-pyran-3,4-diyl diacetate (CAS 162088-90-6)
- 2-Amino-5,5-diethyl-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one (CAS 1184916-15-1)
- Butyl[(pyridin-4-yl)methyl]amine dihydrochloride (CAS 103394-25-8)
- 2-Methylthiophenoxyacetonitrile (CAS 72955-90-9)
- Methyl 5-bromo-4-(hydroxymethyl)-2-methoxybenzoate (CAS 1075281-20-7)
- (2S,3S,4S,5R,6S)-2-(Chloromethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS 6087-46-3)
- (1-Cyclopropylethyl)[(4-methoxyphenyl)methyl]amine (CAS 871217-49-1)
- Tirzepatide Impurity 48 (CAS CATO-C4X-324048)
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