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| CAS No.: | 551-06-4 |
|---|---|
| Name: | 1-Naphthyl isothiocyanate |
| Article Data: | 61 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H7 N S |
| Molecular Weight: | 185.249 |
| Synonyms: | Isothiocyanicacid, 1-naphthyl ester (6CI,8CI); 1-Isothiocyanatonaphthalene; 1-Naphthylisothiocyanate; ANI; ANIT; NSC 89741; Naphthalen-1-yl isothiocyanate; a-Naphthyl isothiocyanate |
| EINECS: | 208-990-8 |
| Density: | 1.11g/cm3 |
| Melting Point: | 55.5-57 ºC |
| Boiling Point: | 339.3°Cat760mmHg |
| Flash Point: | 167.2°C |
| Solubility: | insoluble |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
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| Risk Codes: | R23/24/25 |
| Safety: | Poison by ingestion and intraperitoneal routes. May cause dermatitis, chills, fever, and kidney injury. Can be absorbed by the intact skin when in solution. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also THIOCYANATES. |
| Transport Information: | UN 2811 |
| PSA: | 44.45000 |
| LogP: | 3.57410 |
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Chemistry
Product Name: Isothiocyanic acid-1-naphthyl ester (CAS NO.551-06-4)
Molecular Formula: C11H7NS
Molecular Weight: 185.24g/mol
Mol File: 551-06-4.mol
Einecs: 208-990-8
Appearance: White crystalline powder
Melting Point: 55.5-57 °C(lit.)
Boiling point: 339.3 °C at 760 mmHg
Storage Temperature: 2-8°C
Flash Point: 167.2 °C
Density: 1.11 g/cm3
Water Solubility: Insoluble
Sensitive: Moisture Sensitive
Stability: Stable, but moisture sensitive. Incompatible with strong oxidizing agents.
Surface Tension: 40.2 dyne/cm
Enthalpy of Vaporization: 55.97 kJ/mol
Vapour Pressure: 0.000182 mmHg at 25°C
XLogP3: 4.3
H-Bond Donor: 0
H-Bond Acceptor: 1
Product Categories: Thiocyanates/IsothiocyanatesDerivatization Reagents; Derivatization Reagents HPLC; Organic Building Blocks; Sulfur Compounds; UV-VIS
Uses
Isothiocyanic acid-1-naphthyl ester (CAS NO.551-06-4) is used as analytical reagents and organic synthesis intermediates.
Production
From α-naphthyl thiourea in chlorobenzene was heated to return the system. The α-naphthyl-thiourea join the chlorobenzene, the heating return dissolved and continue to return to 8h. Chlorobenzene recovery after decompression, cooling crystallization, with n-hexane extraction, recovery of n-hexane, were crude, acetone recrystallization that was finished, the yield of 85%.
Toxicity Data With Reference
| 1. | mmo-sat 100 µg/plate ABCHA6 44,3017,80 | |||
| 2. | dns-rat:lvr 10 µmol/L | ENMUDM Environmental Mutagenesis. 3 (1981),11. | ||
| 3. | orl-rat LD50:200 mg/kg | JPBAA7 Journal of Pathology and Bacteriology. 76 (1958),175. | ||
| 4. | orl-mus LD50:105 mg/kg | CTYAD8 Zhongcaoyao. Chinese Herbal Medicine. 17 (1986),307. | ||
| 5. | ipr-mus LD50:152 mg/kg | JJIND8 JNCI, Journal of the National Cancer Institute. 62 (1979),911. |
Consensus Reports
EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of Isothiocyanic acid-1-naphthyl ester (CAS NO.551-06-4):
Hazard Codes: T.gif){kind=small}
Risk Statements: 20/21-25-36/37/38-42-23/24/25
20: Harmful by inhalation
21: Harmful in contact with skin
23: Toxic by inhalation
24: Toxic in contact with skin
25: Toxic if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
42: May cause sensitization by inhalation
Safety Statements: 22-26-36/37-45-24/25
22: Do not breathe dust
24: Avoid contact with skin
25: Avoid contact with eyes
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
Specification
Isothiocyanic acid-1-naphthyl ester ,its CAS NO. is 551-06-4,the synonyms is 1-Isothiocyanatenaphthalene ; 1-Isothiocyanate-naphthalene ; 1-Isothiocyanato-naphthalen ; 1-Isothiocyanatonaphthalene ; 1-Iso-Thiocyanatonaphthalene ; 1-Naftylisothiokyanat ; 1-Naphthalene isothiocyanate ; Alpha-Naphthysothiocyanate .