3-cyanophenyl isothiocyanate
Modify Date: 2025-08-25 18:55:29
3-cyanophenyl isothiocyanate structure
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Common Name | 3-cyanophenyl isothiocyanate | ||
|---|---|---|---|---|
| CAS Number | 3125-78-8 | Molecular Weight | 160.19600 | |
| Density | 1.12g/cm3 | Boiling Point | 303.1ºC at 760mmHg | |
| Molecular Formula | C8H4N2S | Melting Point | 64-66 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 137.1ºC | |
| Symbol |
GHS05, GHS07, GHS08 |
Signal Word | Danger | |
| Name | 3-isothiocyanatobenzonitrile |
|---|---|
| Synonym | More Synonyms |
| Density | 1.12g/cm3 |
|---|---|
| Boiling Point | 303.1ºC at 760mmHg |
| Melting Point | 64-66 °C(lit.) |
| Molecular Formula | C8H4N2S |
| Molecular Weight | 160.19600 |
| Flash Point | 137.1ºC |
| Exact Mass | 160.01000 |
| PSA | 68.24000 |
| LogP | 2.29258 |
| Index of Refraction | 1.604 |
| InChIKey | UXCYPHCFQAFVFH-UHFFFAOYSA-N |
| SMILES | N#Cc1cccc(N=C=S)c1 |
| Storage condition | Keep Cold |
| Symbol |
GHS05, GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H312-H314-H317-H332-H334 |
| Precautionary Statements | P261-P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | C: Corrosive;T: Toxic; |
| Risk Phrases | R23/24/25;R36/37/38 |
| Safety Phrases | S22-S26-S36/37/39-S45 |
| RIDADR | UN 1759 8/PG 3 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2930909090 |
| Precursor 0 | |
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| DownStream 1 | |
CAS#:2237-30-1| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Preparation of aryl isothiocyanates via protected phenylthiocarbamates and application to the synthesis of caffeic acid (4-isothiocyanato)phenyl ester.
J. Org. Chem. 65(19) , 6237-40, (2000)
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Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals 2nd ed.,, (2015), 178
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Copper-catalyzed synthesis of 3-substituted-5-amino-1,2,4-thiadiazoles via intramolecular N-S bond formation. Kim HY, et al.
Tetrahedron 70(45) , 8737-8743, (2014)
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| 3-Cyanophenyl isothiocyanate |
| MFCD00041070 |
| m-Cyanophenyl isothiocyanate |
| Benzonitrile,3-isothiocyanato |