4-Nitrobenzoyl isothiocyanate
4-Nitrobenzoyl isothiocyanate structure
|
Common Name | 4-Nitrobenzoyl isothiocyanate | ||
|---|---|---|---|---|
| CAS Number | 28115-92-6 | Molecular Weight | 208.19400 | |
| Density | 1.39g/cm3 | Boiling Point | 187 °C | |
| Molecular Formula | C8H4N2O3S | Melting Point | 90 °C | |
| MSDS | N/A | Flash Point | 175.3ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Nitrobenzoyl isothiocyanate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.39g/cm3 |
|---|---|
| Boiling Point | 187 °C |
| Melting Point | 90 °C |
| Molecular Formula | C8H4N2O3S |
| Molecular Weight | 208.19400 |
| Flash Point | 175.3ºC |
| Exact Mass | 207.99400 |
| PSA | 107.34000 |
| LogP | 2.36100 |
| Vapour Pressure | 1.48E-05mmHg at 25°C |
| Index of Refraction | 1.641 |
| InChIKey | UNYZFXQNOYBLFS-UHFFFAOYSA-N |
| SMILES | O=C(N=C=S)c1ccc([N+](=O)[O-])cc1 |
| Storage condition | Keep Cold |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | T: Toxic; |
|---|---|
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
4-Nitrobenzoyl ... CAS#:28115-92-6 |
| Literature: Saeed, Aamer; Mumtaz, Amara; Ishida Journal of Sulfur Chemistry, 2011 , vol. 32, # 1 p. 45 - 54 |
|
~%
4-Nitrobenzoyl ... CAS#:28115-92-6 |
| Literature: Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Malik, Muhammad Azad; O'Brien, Paul; Wong, Wing-Tak New Journal of Chemistry, 2013 , vol. 37, # 10 p. 3214 - 3221 |
|
~%
4-Nitrobenzoyl ... CAS#:28115-92-6 |
| Literature: Zhang; Wei; Gao Synthetic Communications, 2001 , vol. 31, # 20 p. 3099 - 3105 |
|
~%
4-Nitrobenzoyl ... CAS#:28115-92-6 |
| Literature: Zhang, You-Ming; Wei, Tai-Bao; Wang, Xiu-Chun; Yang, Su-You Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1998 , vol. 37, # 6 p. 604 - 606 |
|
~51%
4-Nitrobenzoyl ... CAS#:28115-92-6 |
| Literature: Iranpoor, Nasser; Firouzabadi, Habib; Akhlaghinia, Batool; Azadi, Roya Synthesis, 2004 , # 1 p. 92 - 96 |
|
~64%
4-Nitrobenzoyl ... CAS#:28115-92-6 |
| Literature: Kniezo, Ladislav; Bernat, Juraj Synthetic Communications, 1990 , vol. 20, # 4 p. 509 - 513 |
|
~%
4-Nitrobenzoyl ... CAS#:28115-92-6 |
| Literature: deStevens,G. et al. Journal of Organic Chemistry, 1964 , vol. 29, p. 1115 - 1119 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 6 | |
CAS#:59-49-4
CAS#:1044-49-1
CAS#:36855-68-2
CAS#:56437-98-0
CAS#:62507-51-1![N-[(2-hydroxyphenyl)carbamothioyl]-4-nitrobenzamide structure](https://image.chemsrc.com/caspic/091/53501-22-7.png)
CAS#:53501-22-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00041252 |
| 4-nitrobenzoyl isothiocyanate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 4-Nitrobenzoyl isothiocyanate? |
| A: CAS number of 4-Nitrobenzoyl isothiocyanate is 28115-92-6. |
| Q: What is the English name of 4-Nitrobenzoyl isothiocyanate? |
| A: The English name of 4-Nitrobenzoyl isothiocyanate is 4-Nitrobenzoyl isothiocyanate. |
| Q: What is the boiling point of 4-Nitrobenzoyl isothiocyanate? |
| A: Boiling point of 4-Nitrobenzoyl isothiocyanate is 187 °C. |
| Q: What is the InChIKey of 4-Nitrobenzoyl isothiocyanate? |
| A: InChIKey of 4-Nitrobenzoyl isothiocyanate is UNYZFXQNOYBLFS-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 4-Nitrobenzoyl isothiocyanate? |
| A: Polar surface area (PSA) of 4-Nitrobenzoyl isothiocyanate is 107.34000. |
| Q: What is the molecular formula of 4-Nitrobenzoyl isothiocyanate? |
| A: Molecular formula of 4-Nitrobenzoyl isothiocyanate is C8H4N2O3S. |
| Q: What are the downstream products of 4-Nitrobenzoyl isothiocyanate? |
| A: Related downstream products(CAS) of 4-Nitrobenzoyl isothiocyanate: 59-49-4;1044-49-1;36855-68-2;56437-98-0;62507-51-1;53501-22-7. |
| Q: What is the SMILES notation of 4-Nitrobenzoyl isothiocyanate? |
| A: SMILES notation of 4-Nitrobenzoyl isothiocyanate is O=C(N=C=S)c1ccc([N+](=O)[O-])cc1. |
| Q: What are the storage conditions for 4-Nitrobenzoyl isothiocyanate? |
| A: Storage conditions for 4-Nitrobenzoyl isothiocyanate: Keep Cold. |
| Q: What is the molecular weight of 4-Nitrobenzoyl isothiocyanate? |
| A: Molecular weight of 4-Nitrobenzoyl isothiocyanate is 208.19400. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |