| Identification | More | [Name]
2-(3-Benzoylphenyl)propionitrile | [CAS]
42872-30-0 | [Synonyms]
2-(3-BENZOYLPHENYL)PROPIONITRILE
2-(m-Benzoylphenyl)propionitrile
3-(1-CYANOETHYL)BENZOPHENONE
3-BENZOYL-ALPHA-METHYLPHENYLACETONITRILE
24336r.p.
3-benzoyl-alpha-methyl-benzeneacetonitril
3-(1-Cyanoethhyl)benzophenone
KETOPROFEN NITRILE
2-(3-BENZOYLPHENYL)PROPIONITROILE
Ketonituile
3-Benzoyl-α-methylbenzeneacetonitrile
Ketprofen nitrile | [EINECS(EC#)]
255-982-5 | [Molecular Formula]
C16H13NO | [MDL Number]
MFCD00044435 | [Molecular Weight]
235.28 | [MOL File]
42872-30-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
47-53 °C(lit.) | [Boiling point ]
400.8±28.0 °C(Predicted) | [density ]
1.115±0.06 g/cm3(Predicted) | [vapor pressure ]
10Pa at 20-50℃ | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [color ]
White to Almost white | [Major Application]
pharmaceutical (small molecule)
pharmaceutical | [InChI]
InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3 | [InChIKey]
RGYOCHMZSLUCNP-UHFFFAOYSA-N | [SMILES]
C1(=CC=CC(C(C)C#N)=C1)C(=O)C1C=CC=CC=1 | [CAS DataBase Reference]
42872-30-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful 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 . | [WGK Germany ]
3
| [RTECS ]
CY1693000
| [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Uses]
2-(3-Benzoylphenyl)propionitrile was used as a substrate to study the enantioselectivity of nitrile hydratase from Rhodococcus equi A4.
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