3-METHYLBENZYL ISOTHIOCYANATE
3-METHYLBENZYL ISOTHIOCYANATE structure
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Common Name | 3-METHYLBENZYL ISOTHIOCYANATE | ||
|---|---|---|---|---|
| CAS Number | 28115-86-8 | Molecular Weight | 177.22300 | |
| Density | 1.11g/cm3 | Boiling Point | 285.7ºC at 760mmHg | |
| Molecular Formula | C9H7NOS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 126.6ºC | |
| Name | 3-Methylbenzoyl isothiocyanate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.11g/cm3 |
|---|---|
| Boiling Point | 285.7ºC at 760mmHg |
| Molecular Formula | C9H7NOS |
| Molecular Weight | 177.22300 |
| Flash Point | 126.6ºC |
| Exact Mass | 177.02500 |
| PSA | 61.52000 |
| LogP | 2.23800 |
| Vapour Pressure | 0.00275mmHg at 25°C |
| Index of Refraction | 1.576 |
| InChIKey | DXKOLJYVHYILGA-UHFFFAOYSA-N |
| SMILES | Cc1cccc(C(=O)N=C=S)c1 |
| Risk Phrases | 20/21/22-36/37/38 |
|---|---|
| Safety Phrases | 26-36/37/39 |
| RIDADR | UN 2810 |
| HS Code | 2930909090 |
|
~82%
3-METHYLBENZYL ... CAS#:28115-86-8 |
| Literature: Reeves, W. Preston; Simmons, Art; Rudis, John A.; Bothwell, Tim C. Synthetic Communications, 1981 , vol. 11, # 10 p. 781 - 786 |
|
~%
3-METHYLBENZYL ... CAS#:28115-86-8 |
| Literature: Bai, Lin; Li, Shengying; Wang, Jin-Xian; Chen, Mingkai Synthetic Communications, 2002 , vol. 32, # 1 p. 127 - 132 |
|
~86%
3-METHYLBENZYL ... CAS#:28115-86-8 |
| Literature: Kniezo, Ladislav; Bernat, Juraj Synthetic Communications, 1990 , vol. 20, # 4 p. 509 - 513 |
|
~%
3-METHYLBENZYL ... CAS#:28115-86-8 |
| Literature: Saeed, Aamer; Khan, Muhammad Siraj; Rafique, Hummera; Shahid, Mohammad; Iqbal, Jamshed Bioorganic Chemistry, 2014 , vol. 52, p. 1 - 7 |
|
~%
3-METHYLBENZYL ... CAS#:28115-86-8 |
| Literature: Zhang, Fenglong; Du, Jin; Wang, Qing; Hu, Qinghua; Zhang, Jiong; Ding, Dazhong; Zhao, Yaxue; Yang, Fei; Wang, Enduo; Zhou, Huchen Organic and Biomolecular Chemistry, 2013 , vol. 11, # 32 p. 5310 - 5324 |
|
~38%
3-METHYLBENZYL ... CAS#:28115-86-8 |
| Literature: Kantlehner, Willi; Kapassakalidis, Johannis J.; Speh, Peter; Braeuner, Hans-Juergen Liebigs Annalen der Chemie, 1980 , # 3 p. 389 - 393 |
| Precursor 6 | |
|---|---|
| DownStream 5 | |
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CAS#:56437-99-1| 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% |
| 3-methylbenzoyl isothiocyanate |