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BENZYL THIOCYANATE

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Name

BENZYL THIOCYANATE

EINECS 221-144-2
CAS No. 3012-37-1 Density 1.151 g/cm3
PSA 49.09000 LogP 2.40088
Solubility insoluble in water Melting Point 39-41 °C(lit.)
Formula C8H7NS Boiling Point 256.809 °C at 760 mmHg
Molecular Weight 149.216 Flash Point 109.114 °C
Transport Information UN 1759 8/PG 2 Appearance Almost white to yellow crystals or cryst. powder
Safety 13-36/37-50A Risk Codes 20/21/22-32
Molecular Structure Molecular Structure of 3012-37-1 (Benzyl thiocyanate) Hazard Symbols HarmfulXn
Synonyms

Thiocyanicacid, benzyl ester (8CI);Tropeolin (6CI);Thiocyanic acid,phenylmethyl ester;NSC 130266;NSC1729;Solvat 14;a-Thiocyanatotoluene;

Article Data 144

BENZYL THIOCYANATE Chemical Properties

Molecular Formula: C8H7NS
Molar mass: 149.21 g/mol
EINECS: 221-144-2
Density: 1.151 g/cm3
Flash Point: 109.1 °C
Index of Refraction: 1.589
Boiling Point: 256.8 °C at 760 mmHg
Vapour Pressure: 0.0151 mmHg at 25°C
Melting point: 39-41 °C(lit.)
Storage temp: 2-8°C
Water solubility: Insoluble
Sensitive: Moisture Sensitive
Appearance: White to yellow crystals or powder
Structure of Benzyl thiocyanate (3012-37-1):

XLogP3-AA: 2
H-Bond Donor: 0
H-Bond Acceptor: 1
IUPAC Name: Benzyl thiocyanate
Canonical SMILES: C1=CC=C(C=C1)CSC#N
InChI: InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2 
InChIKey: ABNDFSOIUFLJAH-UHFFFAOYSA-N

BENZYL THIOCYANATE Uses

 Benzyl thiocyanate (3012-37-1) can be used for the preparation of pesticides.

BENZYL THIOCYANATE Toxicity Data With Reference

1.    

ipr-rat LDLo:40 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 16 (1966),870.
2.    

ipr-mus LD50:17 mg/kg

    PCBPBS    Pesticide Biochemistry and Physiology. 2 (1972),95.
3.    

scu-mus LD50:100 mg/kg

    JJPAAZ    Japanese Journal of Pharmacology. 3 (1954),99.

BENZYL THIOCYANATE Consensus Reports

Reported in EPA TSCA Inventory.

BENZYL THIOCYANATE Safety Profile

Poison by subcutaneous and intraperitoneal routes. See also THIOCYANATES. When heated to decomposition it emits very toxic fumes of NOx, SOx, and CN.
 

Hazard Codes: Xn
Risk Statements:
20:  Harmful by inhalation
21:  Harmful in contact with skin
22:  Harmful if swallowed 
32:  Contact with acids liberates very toxic gas
Safety Statements:
13:  Keep away from food, drink and animal feeding stuffs
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
50:  Do not mix with ... (to be specified by the manufacturer)

BENZYL THIOCYANATE Specification

 Benzyl thiocyanate (3012-37-1) also can be called Phenylmethyl thiocyanate ; alpha-Thiocyanatotoluene ; Thiocyanic acid, benzyl ester ; Thiocyanic acid, phenylmethyl ester and Benzyl rhodanide .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: should  flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing.Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen.Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.
In addition, Benzyl thiocyanate (3012-37-1)  is not compatible with strong oxidizing agents, acids, strong bases, alcohols, amines, and you must not take it with high temperatures and incompatible materials and not be exposured to moist air or water.And also prevent it to broken down into hazardous decomposition products: oxides of sulfur, oxides of nitrogen, carbon dioxide, carbon monoxide.

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