CAS 130-15-4|1,4-naphthoquinone
| Common Name | 1,4-naphthoquinone | ||
|---|---|---|---|
| CAS Number | 130-15-4 | Molecular Weight | 158.153 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 297.9±40.0 °C at 760 mmHg |
| Molecular Formula | C10H6O2 | Melting Point | 119-122 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 111.2±24.3 °C |
| Symbol | GHS06, GHS08, GHS09 | Signal Word | Danger |
Names
| Name | 1,4-naphthoquinone |
|---|---|
| Synonym | More Synonyms |
1,4-naphthoquinone BiologicalActivity
| Description | 1,4-Naphthoquinone is a potential pharmacophore for inhibition of both MAO (monoamine oxidase) and DNA topoisomerase activities, this latter associated with antitumor activity[1]. |
|---|---|
| Related Catalog | Research Areas >>CancerSignaling Pathways >>Others >>Others |
| References | [1]. Coelho-Cerqueira E, et al. Beyond topoisomerase inhibition: antitumor 1,4-naphthoquinones as potential inhibitors of human monoamine oxidase. Chem Biol Drug Des. 2014 Apr;83(4):401-10. |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 297.9±40.0 °C at 760 mmHg |
| Melting Point | 119-122 °C(lit.) |
| Molecular Formula | C10H6O2 |
| Molecular Weight | 158.153 |
| Flash Point | 111.2±24.3 °C |
| Exact Mass | 158.036774 |
| PSA | 34.14000 |
| LogP | 1.79 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.617 |
| InChIKey | FRASJONUBLZVQX-UHFFFAOYSA-N |
| SMILES | O=C1C=CC(=O)c2ccccc21 |
| Stability | Stable. Incompatible with strong reducing agents, strong oxidizing agents. |
| Water Solubility | insoluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 190 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 50 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 :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 202 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 80 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5500 ug/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - wild bird species
- DOSE/DURATION :
- 133 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 72800 ug/kg/26W-I
- TOXIC EFFECTS :
- Liver - other changes Blood - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6 gm/kg/30D-I
- TOXIC EFFECTS :
- Liver - liver function tests impaired Blood - methemoglobinemia-carboxyhemoglobin Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 300 mg/kg/10D-I
- TOXIC EFFECTS :
- Endocrine - changes in spleen weight Blood - pigmented or nucleated red blood cells Nutritional and Gross Metabolic - changes in iron
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1300 mg/kg/13W-I
- TOXIC EFFECTS :
- Endocrine - changes in spleen weight Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - changes in iron
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 72800 ug/kg/26W-I
- TOXIC EFFECTS :
- Liver - other changes Blood - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 800 mg/kg/29W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Skin and Appendages - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 5 mg/kg
- SEX/DURATION :
- female 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - ovaries, fallopian tubes
MUTATION DATA - TYPE OF TEST :
- Micronucleus test
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 100 ug/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 393,23,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.1 mg/m3;Skin JAN 1993
- TYPE OF TEST :
- Micronucleus test
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 100 ug/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 393,23,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.1 mg/m3;Skin JAN 1993
Safety Information
| Symbol | GHS06, GHS08, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H315-H319-H330-H334-H335-H400 |
| Precautionary Statements | P260-P273-P284-P301 + P310-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | T+:Verytoxic;N:Dangerous for the environment; |
| Risk Phrases | R25;R26;R36/37/38;R43;R50 |
| Safety Phrases | S26-S36/37-S45-S61-S38-S36/37/39-S28A-S24 |
| RIDADR | UN 2811 6.1/PG 1 |
| WGK Germany | 3 |
| RTECS | QL7175000 |
| Packaging Group | I |
| Hazard Class | 6.1 |
| HS Code | 29146910 |
Customs
| HS Code | 2914690090 |
|---|---|
| Summary | 2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| a-Naphthoquinone |
| 1,4-Naphthalenedione |
| naphthoquinone |
| α-Naphthoquinone |
| Hydronaphthoquinone |
| naphthalene-1,4-dione |
| para-naphthoquinone |
| 1,4-Hydronaphthoquinone |
| 1,4-Naphthoquinone |
| 1,4-naphthalene-dione |
| MFCD00001676 |
| EINECS 204-977-6 |
