Introduction:Basic information about CAS 93-46-9|N,N'-Di(2-naphthyl)-1,4-benzenediamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | N,N'-Di(2-naphthyl)-1,4-benzenediamine |
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| CAS Number | 93-46-9 | Molecular Weight | 360.45 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 608.1±35.0 °C at 760 mmHg |
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| Molecular Formula | C26H20N2 | Melting Point | 225-229°C |
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| MSDS | / | Flash Point | 399.0±17.7 °C |
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Names
| Name | N,N'-Di-2-naphthyl-1,4-phenylenediamine |
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| Synonym | More Synonyms |
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N,N'-Di(2-naphthyl)-1,4-benzenediamine BiologicalActivity
| Description | Diafen NN is an antioxidant. Diafen NN induces leukoses and local sarcomas in mice[1][2].. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Others >>Others |
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| In Vivo | Diafen NN (40 mg/小鼠;皮下注射;每周一次,贯穿一生) 诱导小鼠白血病和局部肉瘤[1]。 |
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| References | [1]. Pylev LN, et al. Carcinogenicity of diafen NN. Voprosy Onkologii (1977), 23(12), 75-7. [2]. Mukhutdinov E A, et al. Quantum-Chemical Modelling and Prediction of the Structure and Functional Activity of Free Radicals and Biradicals of N-Phenyl-N′-Isopropyl-P-Phenylenediamine and N, N′-Diphenyl-P-Phenylenediamine[J]. International Polymer Science and Technology, 2009, 36(7): 13-17. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 608.1±35.0 °C at 760 mmHg |
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| Melting Point | 225-229°C |
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| Molecular Formula | C26H20N2 |
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| Molecular Weight | 360.45 |
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| Flash Point | 399.0±17.7 °C |
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| Exact Mass | 360.162659 |
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| PSA | 24.06000 |
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| LogP | 5.78 |
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| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
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| Index of Refraction | 1.772 |
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| InChIKey | VETPHHXZEJAYOB-UHFFFAOYSA-N |
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| SMILES | c1ccc2cc(Nc3ccc(Nc4ccc5ccccc5c4)cc3)ccc2c1 |
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| Water Solubility | <0.1 g/100 mL at 19 ºC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ST2100000
- CHEMICAL NAME :
- p-Phenylenediamine, N,N'-(di-2-naphthyl)-
- CAS REGISTRY NUMBER :
- 93-46-9
- BEILSTEIN REFERENCE NO. :
- 2224419
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C26-H20-N2
- MOLECULAR WEIGHT :
- 360.48
- WISWESSER LINE NOTATION :
- L66J CMR DM- CL66J
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Human
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - acute pulmonary edema Liver - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 4500 mg/kg
- TOXIC EFFECTS :
- Brain and Coverings - other degenerative changes Behavioral - convulsions or effect on seizure threshold
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 31 gm/kg/78W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - tumors
MUTATION DATA - TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 500 mg/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 241,175,1990 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84527 No. of Facilities: 58 (estimated) No. of Industries: 3 No. of Occupations: 8 No. of Employees: 1677 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84527 No. of Facilities: 216 (estimated) No. of Industries: 5 No. of Occupations: 10 No. of Employees: 9999 (estimated) No. of Female Employees: 2908 (estimated)
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S22-S36/37/39 |
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| RTECS | ST2100000 |
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| HS Code | 2921590090 |
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Customs
| HS Code | 2921590090 |
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| Summary | 2921590090. other aromatic polyamines and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 1,4-Benzenediamine, N,N-di-2-naphthalenyl- |
| N,N'-Di-naphthalen-2-yl-benzene-1,4-diamine |
| MFCD00053487 |
| EINECS 202-249-2 |
| N,N'-Di(2-naphthyl)benzene-1,4-diamine |
| 1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine |
| N,N'-Di(2-naphthyl)-1,4-benzenediamine |