ChemicalBook--->CAS DataBase List--->138113-08-3

138113-08-3

138113-08-3 Structure

138113-08-3 Structure
IdentificationBack Directory
[Name]

7-Methoxy-1-naphthylacetonitrile
[CAS]

138113-08-3
[Synonyms]

Agomelatine Intermediate 1
AgoMelatine interMediate A
7-Methoxy-1-phthylacetonitrile
7-Methoxy-1-naphthylacetonitrile
1-Cyanomethyl-7-methoxynaphthalene
7-methoxy-1-Naphthaleneacetonitrile
7-Methoxy-1-naphthaleneacetinitrile
2-(7-Methoxy-1-naphthyl)acetonitrile
2-(7-methoxynaphthalen-1-yl)acetonitrile
N-[2-(7-Methoxy-1-naphthyl)ethyl]acetaMide
[EINECS(EC#)]

-0
[Molecular Formula]

C13H11NO
[MDL Number]

MFCD08704309
[MOL File]

138113-08-3.mol
[Molecular Weight]

197.23
Chemical PropertiesBack Directory
[Appearance]

Tan Solid
[Melting point ]

81-83°C
[Boiling point ]

374.3±17.0 °C(Predicted)
[density ]

1.135±0.06 g/cm3(Predicted)
[vapor pressure ]

0.001Pa at 25℃
[refractive index ]

1.44
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

slightly sol. in Methanol
[form ]

Powder
[color ]

White to Light yellow to Light orange
[InChI]

InChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3
[InChIKey]

PYJMGUQHJINLLD-UHFFFAOYSA-N
[SMILES]

C1(CC#N)=C2C(C=CC(OC)=C2)=CC=C1
[LogP]

2.79 at 26℃ and pH7
[Surface tension]

73.1mN/m at 12.33mg/L and 20℃
[CAS DataBase Reference]

138113-08-3
Hazard InformationBack Directory
[Chemical Properties]

Tan Solid
[Uses]

7-Methoxy-1-naphthylacetonitrile is used as a raw material for organic synthesis, a pharmaceutical intermediate, and an organic solvent.
Safety DataBack Directory
[RIDADR ]

UN 3439 6.1/PG III
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2926907090
Spectrum DetailBack Directory
[Spectrum Detail]

7-Methoxy-1-naphthylacetonitrile(138113-08-3)1HNMR
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