| Identification | More | [Name]
3-Fluorophenylacetonitrile | [CAS]
501-00-8 | [Synonyms]
3-FLUOROBENZENEACETONITRILE
3-FLUOROBENZYL CYANIDE
3-FLUOROPHENYLACETONITRILE
M-FLUOROPHENYLACETONITRILE
3-fluoro-benzeneacetonitril
Acetonitrile, (m-fluorophenyl)-
m-Fluorobenzylcyanide
3-Fluorophenylacetonitrile,98+%
3-Fluorophenylacetonitrile, 99+%
3-Fluorophenylacetonitrile 98%
Benzeneacetonitrile, 3-fluoro- | [EINECS(EC#)]
207-918-2 | [Molecular Formula]
C8H6FN | [MDL Number]
MFCD00001907 | [Molecular Weight]
135.14 | [MOL File]
501-00-8.mol |
| Chemical Properties | Back Directory | [Appearance]
clear light yellow to slightly brown liquid | [Melting point ]
21 °C | [Boiling point ]
113-114 °C18 mm Hg(lit.) | [density ]
1.163 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.502(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to lump to clear liquid | [color ]
White or Colorles to Yellow to Orange | [Specific Gravity]
1.163 | [BRN ]
1861071 | [Exposure limits]
NIOSH: IDLH 25 mg/m3 | [InChI]
InChI=1S/C8H6FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2 | [InChIKey]
DEJPYROXSVVWIE-UHFFFAOYSA-N | [SMILES]
C1(CC#N)=CC=CC(F)=C1 | [CAS DataBase Reference]
501-00-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzeneacetonitrile, 3-fluoro-(501-00-8) | [EPA Substance Registry System]
501-00-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi,T | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing . | [RIDADR ]
3276 | [WGK Germany ]
3
| [Hazard Note ]
Toxic | [TSCA ]
T | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
clear light yellow to slightly brown liquid | [Uses]
3-Fluorophenylacetonitrile is a phenylacetonitrile derivative that is mainly used in pharmaceutical manufacturing or organic synthesis. It is used as a pharmaceutical intermediate for Lemborexant. The drug is a dual receptor orexin antagonist (DORA) approved for the treatment of primary insomnia. |
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