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| IUPAC Name: | 2-(3,4-dichlorophenyl)acetonitrile |
| Description: | 3,4-Dichlorophenylacetonitrile (CAS# 3218-49-3) is an intermediate used in the synthesis of SR 48968, a potent, competitive and selective non-peptide antagonist of the neurokinin A (NK2) receptor1 (1,2,3). It is also used to prepare tachykinin NK3 receptor antagonist SR 142801, (R)-N-[ 1-[3-[ 1-benzoyl-3-(3,4-dichlororphenyl)-3-piperidinyl]propyyl]-4-phenyl-4-piperidinyl-N-methyl acetamide. |
| Molecular Weight: | 186.04 |
| Molecular Formula: | C8H5Cl2N |
| Canonical SMILES: | C1=CC(=C(C=C1CC#N)Cl)Cl |
| InChI: | InChI=1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2 |
| InChI Key: | QWZNCAFWRZZJMA-UHFFFAOYSA-N |
| Boiling Point: | 170 °C (12 torr) |
| Density: | 1.333 g/cm3 |
| MDL: | MFCD00001909 |
| LogP: | 3.05948 |
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Nitrogen Compounds
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
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