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21382-98-9

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21382-98-9 Structure

21382-98-9 Structure
IdentificationMore
[Name]

4-(METHYLTHIO)BENZONITRILE
[CAS]

21382-98-9
[Synonyms]

4-(METHYLTHIO)BENZONITRILE
P-METHYLTHIO BENZONITRILE
4-Cyanothioanisole~4-(Methylmercapto)benzonitrile
4-METHYLSULFANYL-BENZONITRILE
4-(methylmercapto)benzonitrile
4-cyanothioanisole
4-(METHYLTHIO)BENZONITRILE/4-CYANOTHIOANISOLE
4-(METHYLTHIO)BENZONITRILE, 98+%
4-Cyanophenyl(methyl) sulfide
Methyl 4-cyanophenyl sulfide
Methyl(4-cyanophenyl) sulfide
[EINECS(EC#)]

628-745-2
[Molecular Formula]

C8H7NS
[MDL Number]

MFCD00010381
[Molecular Weight]

149.21
[MOL File]

21382-98-9.mol
Chemical PropertiesBack Directory
[Melting point ]

61-63 °C(lit.)
[Boiling point ]

272 °C(lit.)
[density ]

1.1442 (rough estimate)
[refractive index ]

1.6000 (estimate)
[form ]

solid
[Water Solubility ]

Insoluble in water.
[BRN ]

2079565
[InChI]

1S/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
[InChIKey]

RPVGEEHGKIFQFO-UHFFFAOYSA-N
[SMILES]

CSc1ccc(cc1)C#N
[CAS DataBase Reference]

21382-98-9(CAS DataBase Reference)
[EPA Substance Registry System]

Benzonitrile, 4-(methylthio)- (21382-98-9)
Safety DataBack Directory
[Hazard Codes ]

Xn
[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 .
S36:Wear suitable protective clothing .
[RIDADR ]

3276
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2930909899
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

4-(Methylthio)benzonitrile was used in the preparation of 4-cyanobenzenethiol.
[Synthesis Reference(s)]

Synthetic Communications, 14, p. 215, 1984 DOI: 10.1080/00397918408060724
[General Description]

Surface-enhanced Raman scattering of 4-(methylthio)benzonitrile adsorbed on silver surface has been investigated.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(METHYLTHIO)BENZONITRILE(21382-98-9)1HNMR
4-(METHYLTHIO)BENZONITRILE(21382-98-9)IR
4-(METHYLTHIO)BENZONITRILE(21382-98-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-(Methylthio)benzonitrile, 98+%(21382-98-9)
[Sigma Aldrich]

21382-98-9(sigmaaldrich)
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