PHENYLACETONITRILE-1,2-13C2 Chemical Properties

Melting point:

-24 °C(lit.)

Boiling point:

233-234 °C(lit.)

Density 

1.032 g/mL at 25 °C

Flash point:

102 °C

InChI

1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2/i6+1,7+1

InChIKey

SUSQOBVLVYHIEX-AKZCFXPHSA-N

SMILES

N#[13C][13CH2]c1ccccc1

Safety Information

Hazard Codes 

T+,N

Risk Statements 

24/25-26-32-36/37/38-50/53

Safety Statements 

7-28-29-45-60-61

RIDADR 

UN 2470 6.1/PG 3

WGK Germany 

WGK 3

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials

Hazard Classifications

Acute Tox. 2 Inhalation
Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

PHENYLACETONITRILE-1,2-13C2 Usage And Synthesis

Uses

- High-resolution NMR spectroscopy
- Metabolomic profiling and pathway analysis
- Stable Isotope probing in Environmental microbiology
- reaction mechanism investigations

PHENYLACETONITRILE-1,2-13C2(286425-40-9)Related Product Information

• ACETONITRILE (1,2-13C2)
• BENZYL CYANIDE-13C