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Structure

Acetonitrile,2-(phenylsulfonyl)-

CAS
7605-28-9
Catalog Number
ACM7605289
Category
Other Products
Molecular Weight
181.2117
Molecular Formula
C8H7 N O2 S

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Specification

Synonyms
(Phenylsulfonyl)acetonitrile, Maybridge1_004583, Phenylsulphonylacetonitrile, Acetonitrile, (phenylsulfonyl)-, MLS001143941, 184357_ALDRICH, PHENYLSULFONYLACETONITRILE, NSC51007, EINECS 231-515-0, ZINC00153519, SMR000718483, AI3-16855, ST5115716, 7605-28-9
IUPAC Name
2-phenylsulfonylacetonitrile
Canonical SMILES
C1=CC=C(C=C1)S(=O)(=O)CC#N
InChI Key
ZFCFFNGBCVAUDE-UHFFFAOYSA-N
Boiling Point
398.5ºC at 760 mmHg
Melting Point
112-114ºC(lit.)
Flash Point
194.8ºC
Density
1.284 g/cm³
Appearance
off-white crystalline powder
EC Number
231-515-0
Exact Mass
181.02000
Hazard Statements
T: Toxic;
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
III
Safety Description
36/37/39-45
WGK Germany
3
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