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Cas Database |
| Name |
4-(Methylphenyl)sulfonylacetonitrile |
EINECS | 227-173-7 |
| CAS No. | 5697-44-9 | Density | 1.24 g/cm3 |
| PSA | 66.31000 | LogP | 2.37308 |
| Solubility | N/A | Melting Point |
147-151 ºC |
| Formula | C9H9 N O2 S | Boiling Point | 400.9 °C at 760 mmHg |
| Molecular Weight | 195.242 | Flash Point | 196.3 °C |
| Transport Information | N/A | Appearance | off-white crystalline powder |
| Safety | S36/37 | Risk Codes | R20/21/22 |
| Molecular Structure |
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Hazard Symbols |
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| Synonyms |
Acetonitrile,(p-tolylsulfonyl)- (7CI,8CI); Acetonitrile, [(4-methylphenyl)sulfonyl]- (9CI);(4-Tolylsulfonyl)acetonitrile; (p-Tolylsulfonyl)acetonitrile;4-Methylbenzenesulfonylacetonitrile; 4-Tolylsulfoacetonitrile; Cyanomethylp-tolyl sulfone; NSC 125922; Tosylacetonitrile;[(4-Methylphenyl)sulfonyl]acetonitrile; p-Toluenesulfonylacetonitrile |
Article Data | 27 |
4-(Methylphenyl)sulfonylacetonitrile Chemical Properties
Product Name: Tosylacetonitrile (CAS NO.5697-44-9)
Molecular Formula: C9H9NO2S
Molecular Weight: 195.24g/mol
Mol File: 5697-44-9.mol
EINECS: 227-173-7
Melting Point: 147-151 °C
Boiling point: 400.9 °C at 760 mmHg
Flash Point: 196.3 °C
Density: 1.24 g/cm3
Surface Tension: 46.5 dyne/cm
Enthalpy of Vaporization: 65.18 kJ/mol
Vapour Pressure: 1.23E-06 mmHg at 25°C
XLogP3-AA: 1.3
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Tosylacetonitrile (CAS NO.5697-44-9):
IUPAC Name: 2-(4-methylphenyl)sulfonylacetonitrile
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC#N
InChI: InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3
InChIKey: BBNNLJMGPASZPD-UHFFFAOYSA-N
4-(Methylphenyl)sulfonylacetonitrile Safety Profile
Safety Information of Tosylacetonitrile (CAS NO.5697-44-9):
Hazard Codes: Xn
,T
Risk Statements: 20/21/22
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
Safety Statements: 36/37
36: Wear suitable protective clothing
37: Wear suitable gloves
RIDADR: 3276
Hazard Note: Toxic
HazardClass: 6.1
PackingGroup: III
4-(Methylphenyl)sulfonylacetonitrile Specification
Tosylacetonitrile , its CAS NO. is 5697-44-9, the synonym is EINECS 227-173-7 .
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