7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione
7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione structure
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Common Name | 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione | ||
|---|---|---|---|---|
| CAS Number | 4547-02-8 | Molecular Weight | 286.77900 | |
| Density | 1.32 g/cm3 | Boiling Point | 408.9ºC at 760 mmHg | |
| Molecular Formula | C15H11ClN2S | Melting Point | 248-250ºC | |
| MSDS | N/A | Flash Point | 201.1°C | |
Summary: 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione (7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione), CAS number 4547-02-8, molecular formula C15H11ClN2S, molecular weight 286.77900. Appears as pale yellow crystals, melting point 248-250ºC. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione |
|---|---|
| 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 | 1.32 g/cm3 |
|---|---|
| Boiling Point | 408.9ºC at 760 mmHg |
| Melting Point | 248-250ºC |
| Molecular Formula | C15H11ClN2S |
| Molecular Weight | 286.77900 |
| Flash Point | 201.1°C |
| Exact Mass | 286.03300 |
| PSA | 56.48000 |
| LogP | 3.50390 |
| Index of Refraction | 1.684 |
| InChIKey | ULILTJWAJZIROM-UHFFFAOYSA-N |
| SMILES | S=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~85%
7-Chloro-1,3-di... CAS#:4547-02-8 |
| Literature: Goel, O. P.; Krolls, U. Synthesis, 1987 , # 2 p. 162 - 164 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
|---|---|
| DownStream 7 | |
CAS#:18091-89-9
CAS#:28910-89-6![8-chloro-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one structure](https://image.chemsrc.com/caspic/207/31262-82-5.png)
CAS#:31262-82-5![(1E)-8-chloro-1-(5-methylimidazol-4-ylidene)-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine structure](https://image.chemsrc.com/caspic/113/117267-50-2.png)
CAS#:117267-50-2![N-[(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl]methanesulfonamide structure](https://image.chemsrc.com/caspic/185/117267-39-7.png)
CAS#:117267-39-7
CAS#:7564-07-0
CAS#:5969-98-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione |
| 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione |
| BENZP-DINITRIDE-THIO-KETONE |
| 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-thione |
| 7-Chlor-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thion |
| 1,3-dihydro-5-phenyl-7-chloro-2H-1,4-benzodiazepine-2-thione |
| Benzodiazepines Intermediate 1 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione? |
| A: Related upstream materials(CAS) of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione: 1088-11-5. |
| Q: What is the melting point of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione? |
| A: Melting point of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione is 248-250ºC. |
| Q: What is the CAS number of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione? |
| A: CAS number of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione is 4547-02-8. |
| Q: What is the SMILES notation of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione? |
| A: SMILES notation of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione is S=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1. |
| Q: What are the downstream products of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione? |
| A: Related downstream products(CAS) of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione: 18091-89-9;28910-89-6;31262-82-5;117267-50-2;117267-39-7;7564-07-0;5969-98-2. |
| Q: What is the polar surface area (PSA) of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione? |
| A: Polar surface area (PSA) of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione is 56.48000. |
| Q: What is the molecular formula of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione? |
| A: Molecular formula of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione is C15H11ClN2S. |
| Q: What is the molecular weight of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione? |
| A: Molecular weight of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione is 286.77900. |
| Q: What is the boiling point of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione? |
| A: Boiling point of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione is 408.9ºC at 760 mmHg. |
| Q: What is the InChIKey of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione? |
| A: InChIKey of 7-Chloro-5-phenyl-1H-benzo[e]-[1,4]diazepine-2(3H)-thione is ULILTJWAJZIROM-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |