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| CAS No.: | 3012-37-1 |
|---|---|
| Name: | Benzyl thiocyanate |
| Article Data: | 144 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H7NS |
| Molecular Weight: | 149.216 |
| Synonyms: | Thiocyanicacid, benzyl ester (8CI);Tropeolin (6CI);Thiocyanic acid,phenylmethyl ester;NSC 130266;NSC1729;Solvat 14;a-Thiocyanatotoluene; |
| EINECS: | 221-144-2 |
| Density: | 1.151 g/cm3 |
| Melting Point: | 39-41 °C(lit.) |
| Boiling Point: | 256.809 °C at 760 mmHg |
| Flash Point: | 109.114 °C |
| Solubility: | insoluble in water |
| Appearance: | Almost white to yellow crystals or cryst. powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-32 |
| Safety: | 13-36/37-50A |
| Transport Information: | UN 1759 8/PG 2 |
| PSA: | 49.09000 |
| LogP: | 2.40088 |
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Chemistry
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):
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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
Uses
Benzyl thiocyanate (3012-37-1) can be used for the preparation of pesticides.
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. |
Consensus Reports
Reported in EPA TSCA Inventory.
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.gif){kind=small}
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)
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.