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7605-28-9

7605-28-9 Structure

7605-28-9 Structure
IdentificationMore
[Name]

(PHENYLSULFONYL)ACETONITRILE
[CAS]

7605-28-9
[Synonyms]

AKOS BBS-00002852
AURORA KA-6231
BENZENESULFONYLACETONITRILE
BENZENESULPHONYLACETONITRILE
CYANOMETHYLSULFONYLBENZENE
(PHENYLSULFONYL)ACETONITRILE
(PHENYLSULPHONYL)ACETONITRILE
Acetonitrile, (phenylsulfonyl)-
Acetonitrile, 2-phenylsulfonyl-
Benzenesulphonyl acetonitrile 98%
Cyanomethyl (phenyl) sulfone
[EINECS(EC#)]

231-515-0
[Molecular Formula]

C8H7NO2S
[MDL Number]

MFCD00007550
[Molecular Weight]

181.21
[MOL File]

7605-28-9.mol
Chemical PropertiesBack Directory
[Appearance]

White to off-white-greyish crystalline powder
[Melting point ]

112-114 °C(lit.)
[Boiling point ]

398.5±34.0 °C(Predicted)
[density ]

1.284±0.06 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.5650 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Almost white
[BRN ]

640716
[InChI]

InChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2
[InChIKey]

ZFCFFNGBCVAUDE-UHFFFAOYSA-N
[SMILES]

C(#N)CS(C1=CC=CC=C1)(=O)=O
[CAS DataBase Reference]

7605-28-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T,Xi
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

3276
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2930909899
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Chemical Properties]

White to off-white-greyish crystalline powder
[Uses]

(Phenylsulfonyl)acetonitrile was used in the synthesis of pyridines, chromenes and thiophene derivatives based on sulfones.
[Synthesis Reference(s)]

Synthesis, p. 56, 1987 DOI: 10.1055/s-1987-27843
[General Description]

Condensation reaction of (phenylsulfonyl)acetonitrile with benzaldehyde in water in heterogeneous phase in the presence and absence of anionic and cationic surfactants has been studied. Dehydrative alkylation of alcohols with (phenylsulfonyl)acetonitrile under modified Mitsunobu conditions has been investigated.
Spectrum DetailBack Directory
[Spectrum Detail]

(PHENYLSULFONYL)ACETONITRILE(7605-28-9)MS
(PHENYLSULFONYL)ACETONITRILE(7605-28-9)1HNMR
(PHENYLSULFONYL)ACETONITRILE(7605-28-9)13CNMR
(PHENYLSULFONYL)ACETONITRILE(7605-28-9)IR1
(PHENYLSULFONYL)ACETONITRILE(7605-28-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Phenylsulfonylacetonitrile, 98%(7605-28-9)
[Sigma Aldrich]

7605-28-9(sigmaaldrich)
[TCI AMERICA]

Phenylsulfonylacetonitrile,>98.0%(GC)(N)(7605-28-9)
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