532-28-5
Product Name:
Mandelonitrile
Formula:
C8H7NO
Synonyms:
α-Hydroxyphenylacetonitrile;Benzaldehyde cyanohydrin;Benzaldehyde cyanohydrin, DL-α-Hydroxyphenylacetonitrile;DL-Mandelic acid nitrile;Mandelic acid nitrile
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Reddish-brown to dark red-brown liquid. (NTP, 1992) |
|---|---|
| Boiling Point | 338 °F at 760 mmHg (decomposes) (NTP, 1992) |
| Melting Point | 14 °F (also given as 72 °F) (NTP, 1992) |
| Flash Point | 179.5 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Density | 1.1165 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Collision Cross Section | 128.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. 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 | 133.15 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 133.052763847 g/mol |
| Monoisotopic Mass | 133.052763847 g/mol |
| Topological Polar Surface Area | 44 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 141 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Reddish-brown to dark red-brown liquid. (NTP, 1992)