Introduction：Basic information about CAS 69-78-3|DTNB, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | DTNB |
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| CAS Number | 69-78-3 | Molecular Weight | 396.352 |
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| Density | 1.8±0.1 g/cm3 | Boiling Point | 671.9±55.0 °C at 760 mmHg |
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| Molecular Formula | C14H8N2O8S2 | Melting Point | 240-245 °C (dec.)(lit.) |
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| MSDS | ChineseUSA | Flash Point | 360.1±31.5 °C |
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Names
| Name | dithionitrobenzoic acid |
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| Synonym | More Synonyms |
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DTNB BiologicalActivity
| Description | DTNB(Ellman’s Reag) is a chemical used to quantify the number or concentration of thiol groups in a sample; can be used for measuring low-molecular mass thiols such as glutathione in both pure solutions and biological samples, such as blood. |
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| Related Catalog | Signaling Pathways >>Others >>OthersBiochemical Assay ReagentsResearch Areas >>Others |
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Chemical & Physical Properties
| Density | 1.8±0.1 g/cm3 |
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| Boiling Point | 671.9±55.0 °C at 760 mmHg |
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| Melting Point | 240-245 °C (dec.)(lit.) |
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| Molecular Formula | C14H8N2O8S2 |
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| Molecular Weight | 396.352 |
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| Flash Point | 360.1±31.5 °C |
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| Exact Mass | 395.972198 |
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| PSA | 216.84000 |
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| LogP | 3.97 |
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| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
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| Index of Refraction | 1.769 |
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| InChIKey | KIUMMUBSPKGMOY-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-] |
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| Storage condition | Store at RT. |
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| Stability | Stable. Incompatible with strong bases, strong oxidizing agents. |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DG9650000
- CHEMICAL NAME :
- Benzoic acid, 3,3'-dithiobis(6-nitro-
- CAS REGISTRY NUMBER :
- 69-78-3
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C14-H8-N2-O8-S2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2080 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,284,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7018 No. of Facilities: 23 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 197 (estimated) No. of Female Employees: 145 (estimated)
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Safety Information
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi:Irritant |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | DG9650000 |
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| HS Code | 29309070 |
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Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 3-Carboxy-4-nitrophenyl disulfide |
| EINECS 200-714-4 |
| 3,3'-Disulfanediylbis(6-nitrobenzoic acid) |
| Benzoic acid, 3,3'-dithiobis[6-nitro- |
| Ellman Reagent |
| MFCD00007140 |
| 5,5'-dithiobis-(2-nitrobenzoic acid) |
| 5,5'-DITHIOBIS(2-NITROBENZOIC ACID) |
| 5,5'-Dithobis(2-Nitrobenzoic Acid) |
| 5,5-Dithiobis(2-nitrobenzoic acid) |
| 5,5′-Dithiobis(2-nitrobenzoic acid) |
| UNII:9BZQ3U62JX |
| DTNB |
