Introduction：Basic information about CAS 3218-49-3|3,4-Dichlorophenylacetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,4-Dichlorophenylacetonitrile |
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| CAS Number | 3218-49-3 | Molecular Weight | 186.038 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 308.6±0.0 °C at 760 mmHg |
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| Molecular Formula | C8H5Cl2N | Melting Point | 39-42 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 125.9±17.4 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 2-(3,4-dichlorophenyl)acetonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 308.6±0.0 °C at 760 mmHg |
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| Melting Point | 39-42 °C(lit.) |
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| Molecular Formula | C8H5Cl2N |
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| Molecular Weight | 186.038 |
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| Flash Point | 125.9±17.4 °C |
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| Exact Mass | 184.979904 |
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| PSA | 23.79000 |
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| LogP | 2.51 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.566 |
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| InChIKey | QWZNCAFWRZZJMA-UHFFFAOYSA-N |
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| SMILES | N#CCc1ccc(Cl)c(Cl)c1 |
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302 + H312 + H332-H315-H319-H335 |
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| Precautionary Statements | P261-P280-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xn:Harmful |
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| Risk Phrases | R20/21/22;R36/37/38 |
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| Safety Phrases | S26-S37/39-S36/37/39 |
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| RIDADR | 3276 |
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| WGK Germany | 3 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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| HS Code | 29269095 |
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Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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| Pharmacological profile and chemical synthesis of SR 48968, a non-peptide antagonist of the neurokinin A (NK2) receptor. Emonds-Alt X, et al. Bioorg. Med. Chem. Lett. 3(5) , 925-30, (1993)
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| A practical and scalable synthesis of SR 142801, a tachykinin NK3 antagonist. Chen HG, et al. Bioorg. Med. Chem. Lett. 7(5) , 555-60, (1997)
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| Identification and chemical synthesis of MDL 105,212, a non-peptide tachykinin antagonist with high affinity for NK1and NK2 receptors. Burkholder TP, et al. Bioorg. Med. Chem. Lett. 6(8) , 951-56, (1996)
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Synonyms
| 3,4-dichlorobenzeneacetonitrile |
| 2-(3,4-dichlorophenyl)acetonitrile |
| m,p-dichlorophenylacetonitrile |
| Benzeneacetonitrile, 3,4-dichloro- |
| 3,4-Dichlorobenzyl cyanide |
| EINECS 221-743-9 |
| (3,4-Dichlorophenyl)acetonitrile |
| 3,4-Dichlorophenylacetonitrile |
| MFCD00001909 |
