CAS 551-06-4|1-naphthyl isothiocyanate
Introduction：Basic information about CAS 551-06-4|1-naphthyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-naphthyl isothiocyanate | ||
|---|---|---|---|
| CAS Number | 551-06-4 | Molecular Weight | 185.245 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 339.3±11.0 °C at 760 mmHg |
| Molecular Formula | C11H7NS | Melting Point | 55.5-57 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 167.2±27.1 °C |
| Symbol | GHS06, GHS08 | Signal Word | Danger |
Names
| Name | 1-naphthyl isothiocyanate |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 339.3±11.0 °C at 760 mmHg |
| Melting Point | 55.5-57 °C(lit.) |
| Molecular Formula | C11H7NS |
| Molecular Weight | 185.245 |
| Flash Point | 167.2±27.1 °C |
| Exact Mass | 185.029922 |
| PSA | 44.45000 |
| LogP | 4.47 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.623 |
| InChIKey | JBDOSUUXMYMWQH-UHFFFAOYSA-N |
| SMILES | S=C=Nc1cccc2ccccc12 |
| Stability | Stable, but moisture sensitive. Incompatible with 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 :
- 200 mg/kg
- TOXIC EFFECTS :
- Liver - hepatitis (hepatocellular necrosis), zonal Liver - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 105 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 :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 152 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 :
- 16800 mg/kg/32W-C
- TOXIC EFFECTS :
- Liver - jaundice, other or unclassified Liver - other changes Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - domestic
- DOSE/DURATION :
- 1300 mg/kg/13D-I
- TOXIC EFFECTS :
- Liver - hepatitis (hepatocellular necrosis), zonal Liver - other changes Related to Chronic Data - death
MUTATION DATA - TYPE OF TEST :
- Unscheduled DNA synthesis
- TEST SYSTEM :
- Rodent - rat Liver
- DOSE/DURATION :
- 10 umol/L
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 3,11,1981
- TYPE OF TEST :
- Unscheduled DNA synthesis
- TEST SYSTEM :
- Rodent - rat Liver
- DOSE/DURATION :
- 10 umol/L
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 3,11,1981
Safety Information
| Symbol | GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H312 + H332-H315-H319-H334-H335 |
| Precautionary Statements | P261-P280-P301 + P310-P305 + P351 + P338-P342 + P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T:Toxic; |
| Risk Phrases | R23/24/25 |
| Safety Phrases | S22-S26-S36/37-S45-S24/25 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | NX9100000 |
| Packaging Group | II |
| Hazard Class | 6.1 |
Articles30
More Articles| Salting-out assisted liquid-liquid extraction for the determination of biogenic amines in fruit juices and alcoholic beverages after derivatization with 1-naphthylisothiocyanate and high performance liquid chromatography. J. Chromatogr. A. 1422 , 60-72, (2015) A new method for determining biogenic amines in fruit juices and alcoholic beverages is described involving reaction of biogenic amines with 1-naphthylisothiocyanate followed by extraction of 1-naphth... | |
| All-trans-retinoic acid improves cholestasis in α-naphthylisothiocyanate-treated rats and Mdr2-/- mice. J. Pharmacol. Exp. Ther. 349(1) , 94-8, (2014) Chronic cholestasis results in liver injury and eventually liver failure. Although ursodeoxycholic acid (UDCA) showed limited benefits in primary biliary cirrhosis, there is an urgent need to develop ... | |
| Changes of pharmacokinetics of 6,7-dimethoxycoumarin in a rat model of alpha-naphthylisothiocyanate-induced experimental hepatic injury after Yinchenhao Decoction () treatment. Chin. J. Integr. Med. 18(11) , 831-6, (2012) To study the changes of pharmacokinetics of 6,7-dimethoxycoumarin in a rat model of alpha-naphthylisothiocyanate (ANIT)-induced experimental hepatic injury after oral administration of Yinchenhao Deco... |
Synonyms
| EINECS 208-990-8 |
| isothiocyanato-naphthalen |
| 1-Naftylisothiokyanat |
| Naphthyl mustard oil |
| 1-Isothiocyanatonaphthalene |
| ANIT |
| 1-naphthyl isothiocyanate |
| 1-NAPTHYL ISOTHIOCYANATE |
| 1-Naphtyl isothiocyanate |
| 1-Naphthyl senfoel |
| ANI |
| Naphthalene, 1-isothiocyanato- |
| Kesscocide |
| MFCD00003882 |
