Mandelonitrile Structure

Mandelonitrile

Chemical Properties

Melting point 22 °C (72 °F; 295 K) (R/S)
Boiling point 282.70 °C (540.86 °F; 555.85 K) Decomposes
Density  1.117 g/mL
refractive index  1.53
Flash point 113 °C (235 °F; 386 K)
storage temp.  Store below +30°C.
solubility  alcohol: freely soluble
pka 10.50±0.20(Predicted)
form  powder to lump to clear liquid
color  White or Colorless to Yellow
Water Solubility  <1g/L
Sensitive  Moisture Sensitive
Merck  14,5719
BRN  2207122
Dielectric constant 17.0(23℃)
Stability Stable, but moisture sensitive. Combustible. Incompatible with strong oxidizing agents.
InChI 1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H
InChIKey NNICRUQPODTGRU-UHFFFAOYSA-N
SMILES N#CC(O)c1ccccc1
LogP 0.830 (est)
CAS DataBase Reference 532-28-5(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 584322E08A
NIST Chemistry Reference Benzeneacetonitrile, «alpha»-hydroxy-(532-28-5)
EPA Substance Registry System Mandelonitrile (532-28-5)
UNSPSC Code 12352117
NACRES NA.22

Safety

Symbol(GHS) Corrosion (GHS05)Skull and Crossbones (GHS06)
Signal wordDanger
Hazard statements H301+H311+H331-H315-H318
Precautionary statements P501-P261-P270-P271-P264-P280-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P305+P351+P338+P310-P403+P233-P405
Hazard Codes  T
Risk Statements  23/24/25-41
Safety Statements  22-26-36/37/39-45-24/25
RIDADR  UN 3276 6.1/PG 3
WGK Germany  3
RTECS  OO8400000
F  21
TSCA  TSCA listed
HS Code  2926909090
HazardClass  6.1
PackingGroup  III
Storage Class 6.1C - Combustible, acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Eye Dam. 1
Toxicity LD50 orally in Rabbit: 116 mg/kg
NFPA 704:
1
3 0

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