4-Chloro-2-nitrobenzenethiol CAS 36776-27-9
| CAS No. | 36776-27-9 |
| Molecular Formula | C6H4ClNO2S |
| Molecular Weight | 189.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Chloro-2-nitrobenzenethiol (CAS 36776-27-9), molecular formula C6H4ClNO2S and molecular weight 189.62 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, 4-Chloro-2-nitrobenzenethiol is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 189.62 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
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 | C6H4ClNO2S |
| Molecular Weight | 189.62 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, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1967 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 4-Chloro-3-nitrobenzenethiol (CAS 100191-28-4)
- 2-chloro-4-nitrobenzene-1-thiol (CAS 36776-29-1)
- 2-Chloro-5-fluoro-N-isopropylpyrimidin-4-amine (CAS 28942-85-0)
- 6-Chloro-5-fluoro-N,N,2-trimethylpyrimidin-4-amine (CAS 866648-69-3)
- 3-Chloro-4-ethoxy-5-fluoroaniline (CAS 1017778-85-6)
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- 4-Chloro-3-ethoxy-2-fluoroaniline (CAS 1323966-31-9)
- (4-Chloro-2-fluoro-3-methoxyphenyl)methanamine (CAS 1323966-34-2)
Recommended Standards
- 2-Nitrophenyl hypochlorothioite (CAS 7669-54-7)
- 4-Nitrophenyl hypochlorothioite (CAS 937-32-6)
- 3-azanylidene-6-(chloromethyl)-4-oxidanyl-pyrazine-2-carbonitrile 40127-89-7 6-(chloromethyl)-4-hydroxy-3-imino-2-pyrazinecarbonitrile A824925 (CAS 40127-89-7)
- Stannous chloride (CAS 7772-99-8)
- Potassium ((((benzyloxy)carbonyl)amino)methyl)trifluoroborate (CAS 1695529-70-4)
- Iron(II) oxide (CAS 1345-25-1)
- Butane-2,3-diyl diacetate (CAS 1114-92-7)
- 5-Oxo-1-phenyl-3-(triphenylphosphonio)-4,5-dihydro-1H-pyrrol-2-olate (CAS 18092-17-6)
- (4-Bromo-2,5-dimethyl-phenylsulfanyl)-acetic acid (CAS 321942-73-8)
- Exemestane-d3 (CAS 107868-30-4 (unlabelled))
- 4-(Phenoxymethyl)benzonitrile (CAS 57928-75-3)
- 4-(3,4-Dichlorophenyl)-1,3-oxazol-2-amine (CAS 1250201-47-8)
- (±)-Levomepromazine (CAS 851-68-3)
- Semaglutide impurity 49 (CAS CATO-C4X-222649)
Why CATO?
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