Toluene, .alpha.-isothiocyanato-
Benzylisothiocyanate
CAS: 622-78-6
Molecular Formula: C8H7NS
Toluene, .alpha.-isothiocyanato- - Names and Identifiers
| Name | Benzylisothiocyanate |
| Synonyms | BITC benzyl isorhodanide benzyl isorhodanate TIMTEC-BB SBB002731 Benzylisothiocyanate Benzyl Isothiocyanate benzyl isothiocyanide a-Isothiocyanatotoluene (Isothiocyanatomethyl)benzol (Isothiocyanatomethyl)benzene Benzene, (isothiocyanatomethyl)- Toluene, .alpha.-isothiocyanato- Benzyl mustard oil, Isothiocyanotaomethylbenzene |
| CAS | 622-78-6 |
| EINECS | 210-753-9 |
| InChI | InChI=1/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
Toluene, .alpha.-isothiocyanato- - Physico-chemical Properties
| Molecular Formula | C8H7NS |
| Molar Mass | 149.21 |
| Density | 1.125g/mLat 25°C(lit.) |
| Melting Point | 41 °C |
| Boling Point | 242-243°C(lit.) |
| Specific Rotation(α) | n20/D 1.601 (lit.) |
| Flash Point | >235°F |
| JECFA Number | 1562 |
| Water Solubility | Hydrolyzes in water. |
| Solubility | Soluble in water. |
| Vapor Presure | 0.0491mmHg at 25°C |
| Appearance | Pale yellow liquid. |
| Specific Gravity | 1.125 |
| Color | Clear yellow |
| BRN | 386135 |
| Storage Condition | 2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.6018(lit.) |
| MDL | MFCD00004819 |
Toluene, .alpha.-isothiocyanato- - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R42/43 - May cause sensitization by inhalation and skin contact. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 2810 |
| WGK Germany | 3 |
| RTECS | NX8250000 |
| FLUKA BRAND F CODES | 8-19-21 |
| TSCA | T |
| HS Code | 29309090 |
| Hazard Note | Corrosive/Harmful/Store under nitrogen |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | mmo-sat 150 mg/plate ABCHA6 44,3017,80 |
Toluene, .alpha.-isothiocyanato- - Reference Information
| FEMA | 4428 | BENZYL ISOTHIOCYANATE |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| biological activity | Benzyl isothioanate is a natural isothiocyanate with bactericidal activity. Benzyl isothioanate can effectively inhibit the migration, migration and invasion of mouse melanoma cells and MMP-2 activity. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | intraperitoneal-rat LDL0: 100 mg/kg; Intraperitoneal-mouse LDL0: 100 mg/kg |
| flammability hazard characteristics | open flame, high heat, flammable oxidant; high heat evolution of toxic nitrogen oxides and sulfur oxide gases |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature, separate storage of food additives |
| fire extinguishing agent | water mist, carbon dioxide, dry powder; Prohibited acid and alkali extinguishing agent |
Last Update：2024-04-10 22:29:15
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