| Identification | More | [Name]
4-NITROTHIOANISOLE | [CAS]
701-57-5 | [Synonyms]
1-(METHYLTHIO)-4-NITROBENZENE
4-(METHYLTHIO)NITROBENZENE
4-NITROTHIOANISOLE
METHYL-4-NITROPHENYL SULFIDE
P-(METHYLTHIO)NITROBENZENE
1-(Methylsulfanyl)-4-nitrobenzene
Benzene, 1-(methylthio)-4-nitro-
METHYL4-NITROPHENYLSULFIDE,TECH.
p-Nitrothioanisole
4-Nitrothioanisole 98%
Methyl 4-nitrophenylsulphide
4-NITROTHIOANISOLE/METHYL 4-NITROPHENYL SULPHIDE
methyl(4-nitrophenyl)sulfane
p-Nitrophenyl methyl sulfide
1-Nitro-4-(methylthio)benzene | [EINECS(EC#)]
677-868-8 | [Molecular Formula]
C7H7NO2S | [MDL Number]
MFCD00010868 | [Molecular Weight]
169.2 | [MOL File]
701-57-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
66-69 °C (lit.)
68-72 °C (lit.) | [Boiling point ]
140 °C / 2mmHg | [density ]
1.2391 | [refractive index ]
1.6401 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Toluene | [form ]
powder to crystal | [color ]
Light yellow to Yellow to Orange | [Sensitive ]
Stench | [BRN ]
1817928 | [InChI]
InChI=1S/C7H7NO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 | [InChIKey]
NEZGPRYOJVPJKL-UHFFFAOYSA-N | [SMILES]
C1(SC)=CC=C([N+]([O-])=O)C=C1 | [CAS DataBase Reference]
701-57-5(CAS DataBase Reference) | [NIST Chemistry Reference]
Methyl 4-nitrophenyl sulphide(701-57-5) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S22:Do not breathe dust .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Harmful/Stench | [HazardClass ]
IRRITANT, STENCH | [HS Code ]
29309090 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow solid | [Uses]
4-Nitrothioanisole may be used to synthesize 4-nitrothioanisole sulfoxide and methyl 4-nitrophenyl sulfoxide. | [Synthesis Reference(s)]
Tetrahedron Letters, 24, p. 2575, 1983 DOI: 10.1016/S0040-4039(00)81985-1 | [General Description]
4-Nitrothioanisole in acetone-d6 solution exhibits twofold barrier to rotation about the Csp2-S bond as 16.1±1.5kJ/mol. 4-Nitrothioanisole undergoes hydrogenation in the presence of sulfided Pd/C catalysts. |
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