1,3-Dinitrobenzene CAS 99-65-0
| CAS No. | 99-65-0 |
| Molecular Formula | C6H4N2O4 |
| Molecular Weight | 168.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1,3-Dinitrobenzene is closely related to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1,3-Dinitrobenzene (CAS 99-65-0) is a high-purity analytical reference standard with the molecular formula C6H4N2O4 and a molecular weight of 168.11 g/mol.
Structurally, 1,3-Dinitrobenzene (C6H4N2O4) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. 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 168.11 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.
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 1,3-Dinitrobenzene 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 | C6H4N2O4 |
| Molecular Weight | 168.11 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Nitrogen Atoms | 2 |
Related Dinitrobenzene Standards
- 1,2-Dinitrobenzene (CAS 528-29-0)
- 1,4-Dinitrobenzene (CAS 100-25-4)
- 1,3-Dinitrobenzene-d4 (CAS 54247-05-1)
- 1-Ethyl-2,4-dinitrobenzene (CAS 1204-29-1)
- 2,6-Dinitrobenzene-1,4-diamine (CAS 67382-08-5)
- 3,5-Dinitrobenzene-1,2-diamine (CAS 3694-51-7)
- 4,5-Dinitrobenzene-1,2-diamine (CAS 32690-28-1)
- 4,6-Dinitrobenzene-1,3-diol (CAS 616-74-0)
Recommended Standards
- Uric Acid (CAS 69-93-2)
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- 4-Nitropicolinicacid (CAS 13509-19-8)
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- 4-(Bromomethyl)-3-methoxy-1,5-naphthyridine (CAS 893566-34-2)
- n-(4-Bromophenyl)piperidine-1-sulfonamide (CAS 824972-44-3)
- 4-(1-Hydroxyethyl)benzonitrile (CAS 52067-35-3)
- 3-(5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-yl)propanenitrile (CAS 2228531-37-9)
- 3-[3-(dimethylamino)propoxy]aniline (CAS 1135-26-8)
- 2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile (CAS 81249-46-9)
- 5-((2-Hydroxyethyl)amino)-6-methyl-1,2,4-triazin-3-ol (CAS 459212-61-4)
- 1-(5-((4-Fluorophenyl)carbamoyl)-1,3,4-thiadiazole-2-carbonyl)piperidine-3-carboxylic acid (CAS 1142210-55-6)
- 2-(3,5-Dichlorophenyl)-1,3-dioxolane (CAS 70185-30-7)
- D-[Phe]6-Liraglutide (CAS CATO-C4X-199235)
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