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| | 3,4-Dichlorophenylacetonitrile Basic information |
| Product Name: | 3,4-Dichlorophenylacetonitrile | | Synonyms: | Benzeneacetonitrile, 3,4-dichloro-;3,4-Dichlorophenylacetonitrile,98%;3,4-DICHLOROPHENYLACETONITRILE;3,4-DICHLOROBENZYL CYANIDE;3,4-DCCN;2-(3,4-DICHLOROPHENYL)ACETONITRILE;3,4-Dichlorobenzeneacetonitrile;3,4-Dichlorophenylac | | CAS: | 3218-49-3 | | MF: | C8H5Cl2N | | MW: | 186.04 | | EINECS: | 221-743-9 | | Product Categories: | Nitrogen Compounds;Organic Building Blocks;Building Blocks;C8 to C9;Chemical Synthesis;Cyanides/Nitriles;Aromatic Phenylacetic Acids and Derivatives;Chemical intermediate for Osanetant | | Mol File: | 3218-49-3.mol |  |
| | 3,4-Dichlorophenylacetonitrile Chemical Properties |
| Melting point | 39-42 °C (lit.) | | Boiling point | 170 °C/12 mmHg (lit.) | | density | 1.4274 (rough estimate) | | refractive index | 1.5690 (estimate) | | Fp | >230 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Crystalline Powder | | color | White | | BRN | 638749 | | Exposure limits | NIOSH: IDLH 25 mg/m3 | | Stability: | Light Sensitive | | InChI | 1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2 | | InChIKey | QWZNCAFWRZZJMA-UHFFFAOYSA-N | | SMILES | Clc1ccc(CC#N)cc1Cl | | CAS DataBase Reference | 3218-49-3(CAS DataBase Reference) | | NIST Chemistry Reference | 3,4-Dichlorophenylacetonitrile(3218-49-3) |
| Hazard Codes | Xn,Xi | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-37/39-36/37/39 | | RIDADR | 3276 | | WGK Germany | 3 | | Hazard Note | Irritant | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269095 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3,4-Dichlorophenylacetonitrile Usage And Synthesis |
| Chemical Properties | WHITE CRYSTALLINE POWDER | | Uses | 3,4-Dichlorophenylacetonitrile was used in the synthesis of:
- SR 48968, a potent, competitive and selective non-peptide antagonist of the neurokinin A (NK2) receptor
- 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
- MDL 105,212, a non-peptide tachykinin receptor antagonist
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| | 3,4-Dichlorophenylacetonitrile Preparation Products And Raw materials |
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