622-78-6
Product Name:
BENZYL ISOTHIOCYANATE
Formula:
C8H7NS
Synonyms:
Benzyl mustard oil;BITC;Isothiocyanotaomethylbenzene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 242.00 to 243.00 °C. @ 760.00 mm Hg |
| Melting Point | 41 °C |
| Solubility | 0.109 mg/mL at 25 °C |
| Density | 1.121-1.127 |
| LogP | 3.16 |
| Refractive Index | 1.600-1.606 |
| Kovats Retention Index | 1318 1317 1335 1318 1334 1317 1346.6 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 149.21 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 149.02992040 g/mol |
| Monoisotopic Mass | 149.02992040 g/mol |
| Topological Polar Surface Area | 44.4 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 132 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Benzyl isothiocyanate is an isothiocyanate and a member of benzenes. It has a role as an antibacterial drug.