| Identification | More | [Name]
3,4-Dichlorophenylacetonitrile | [CAS]
3218-49-3 | [Synonyms]
2-(3,4-DICHLOROPHENYL)ACETONITRILE
3,4-DCCN
3,4-DICHLOROBENZYL CYANIDE
3,4-DICHLOROPHENYLACETONITRILE
Benzeneacetonitrile, 3,4-dichloro-
3,4-Dichlorophenylacetonitrile,98%
3,4-DICHLOROPHENYLCYANIDE
4,4-Dichlorophenylacetonitrile
3,4-DICHLOROPHENYLACETONITRILE/3,4-DICHLOROBENZYL CYANIDE
3,4-Dichlorobenzeneacetonitrile | [EINECS(EC#)]
221-743-9 | [Molecular Formula]
C8H5Cl2N | [MDL Number]
MFCD00001909 | [Molecular Weight]
186.04 | [MOL File]
3218-49-3.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE CRYSTALLINE POWDER | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and 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 .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [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 |
| Hazard Information | Back Directory | [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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