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1-Naphthyl isothiocyanate

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1-Naphthyl isothiocyanate

EINECS 208-990-8
CAS No. 551-06-4 Density 1.11g/cm3
Solubility insoluble Melting Point 55.5-57 ºC
Formula C11H7 N S Boiling Point 339.3°Cat760mmHg
Molecular Weight 185.25 Flash Point 167.2°C
Transport Information UN 2811 Appearance white crystalline powder
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. Risk Codes R23/24/25   
Molecular Structure Molecular Structure of 551-06-4 (1-Naphthyl isothiocyanate) Hazard Symbols
Synonyms

Isothiocyanicacid, 1-naphthyl ester (6CI,8CI); 1-Isothiocyanatonaphthalene; 1-Naphthylisothiocyanate; ANI; ANIT; NSC 89741; Naphthalen-1-yl isothiocyanate; a-Naphthyl isothiocyanate

 

1-Naphthyl isothiocyanate Chemical Properties

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

1-Naphthyl isothiocyanate Uses

 Isothiocyanic acid-1-naphthyl ester (CAS NO.551-06-4) is used as analytical reagents and organic synthesis intermediates.

1-Naphthyl isothiocyanate 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%.

1-Naphthyl isothiocyanate 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.

1-Naphthyl isothiocyanate Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

1-Naphthyl isothiocyanate Safety Profile

Safety Information of Isothiocyanic acid-1-naphthyl ester (CAS NO.551-06-4):
Hazard Codes: T
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  

1-Naphthyl isothiocyanate 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 .

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