5153-67-3
Product Name:
(E)-2-Nitroethenylbenzene
Formula:
C8H7NO2
Synonyms:
trans-1-Nitro-2-phenylethylene;trans-beta-Nitrostyrene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Beta-nitrostyrene appears as yellow prisms (from ethanol) or yellow crystalline solid. (NTP, 1992) |
|---|---|
| Color/Form | Yellow prisms (from ethanol or petr ether) /trans-isomer/ |
| Boiling Point | 482 to 500 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 136 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Density | 1.1552 at 90 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.01 [mmHg] |
| LogP | log Kow = 2.11 |
| Decomposition | When heated to decomposition it emits toxic vapors of /oxides of nitrogen/. |
| Other Experimental Properties | Moderate fire and explosion risk |
| Chemical Classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation 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. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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 | 149.15 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 149.047678466 g/mol |
| Monoisotopic Mass | 149.047678466 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 154 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Beta-nitrostyrene appears as yellow prisms (from ethanol) or yellow crystalline solid. (NTP, 1992)