16794-68-6
16794-68-6 structure
- Name: 4-methylbenzoyl isothiocyanate
- Chemical Name: 4-methylbenzoyl isothiocyanate
- CAS Number: 16794-68-6
- Molecular Formula: C9H7NOS
- Molecular Weight: 177.22300
- Create Date: 2018-05-17 08:00:00
- Modify Date: 2025-09-26 19:05:06
| Name | 4-methylbenzoyl isothiocyanate |
|---|---|
| Synonyms |
Benzoyl isothiocyanate,4-methyl
N-<p-Toluoyl>-isothiocyanat p-Toluoyl Isothiocyanat 4-methyl-benzoyl isothiocyanate 4-Methylbenzoylisothiocyanat 4-methyl-1-benzenecarbonyl isothiocyanate p-methylbenzoyl isothiocyanate |
| Density | 1.11 g/cm3 |
|---|---|
| Boiling Point | 283.9ºC at 760 mmHg ， 100ºC/1mm Hg |
| Melting Point | 100ºC |
| Molecular Formula | C9H7NOS |
| Molecular Weight | 177.22300 |
| Flash Point | 125.5ºC |
| Exact Mass | 177.02500 |
| PSA | 61.52000 |
| LogP | 2.23800 |
| Vapour Pressure | 0.00307mmHg at 25°C |
| Index of Refraction | 1.576 |
| Risk Phrases | R20/21/22 |
|---|---|
| Safety Phrases | 26-36/37/39 |
| RIDADR | UN 2810 |
| HS Code | 2930909090 |
|
~99%
16794-68-6 |
| Literature: Wei, Tai-Bao; Li, Man-Lin; Lin, Qi; Liu, Hong; Zhang, You-Ming Phosphorus, Sulfur and Silicon and the Related Elements, 2006 , vol. 181, # 7 p. 1583 - 1592 |
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16794-68-6 |
| Literature: Journal of Medicinal Chemistry, , vol. 38, # 15 p. 2969 - 2973 |
|
~90%
16794-68-6 |
| Literature: Iranpoor; Firouzabadi; Shaterian Synthetic Communications, 2002 , vol. 32, # 23 p. 3653 - 3657 |
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16794-68-6 |
| Literature: Medicinal Chemistry Research, , vol. 16, # 3 p. 143 - 154 |
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16794-68-6 |
| Literature: Synthesis, , # 18 p. 2839 - 2848 |
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16794-68-6 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 28, # 7 p. 1645 - 1649 |
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16794-68-6 |
| Literature: Chemische Berichte, , vol. 100, # 12 p. 4027 - 4041 |
| Precursor 6 | |
|---|---|
| DownStream 4 | |
![4-(p-tolyl)-2H-benzo[4,5]oxazolo[3,2-a][1,3,5]triazine-2-thione structure](https://image.chemsrc.com/caspic/428/128406-93-9.png)
| 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% |