Phenol, 4-bromo-,1-(4-nitrobenzoate)
Phenol, 4-bromo-,1-(4-nitrobenzoate) structure
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Common Name | Phenol, 4-bromo-,1-(4-nitrobenzoate) | ||
|---|---|---|---|---|
| CAS Number | 36718-65-7 | Molecular Weight | 322.11100 | |
| Density | 1.603g/cm3 | Boiling Point | 454.2ºC at 760mmHg | |
| Molecular Formula | C13H8BrNO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 228.5ºC | |
Summary: p-Bromphenyl-p-nitrobenzoat, also known as Phenol, 4-bromo-,1-(4-nitrobenzoate), with CAS number 36718-65-7, has a molecular formula of C13H8BrNO4 and a molecular weight of 322.11100. 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 | p-Bromphenyl-p-nitrobenzoat |
|---|---|
| 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 | 1.603g/cm3 |
|---|---|
| Boiling Point | 454.2ºC at 760mmHg |
| Molecular Formula | C13H8BrNO4 |
| Molecular Weight | 322.11100 |
| Flash Point | 228.5ºC |
| Exact Mass | 320.96400 |
| PSA | 72.12000 |
| LogP | 4.09970 |
| Index of Refraction | 1.637 |
| InChIKey | PCSBEINDFQJBPT-UHFFFAOYSA-N |
| SMILES | O=C(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~34%
Phenol, 4-bromo... CAS#:36718-65-7 |
| Literature: Bumagin, N. A.; Nikitin, K. V.; Andryukhova, N. P.; Beletskaya, I. P. Doklady Chemistry, 1991 , vol. 318, # 4-6 p. 155 - 159 Dokl. Akad. Nauk SSSR Ser. Khim., 1991 , vol. 318, # 6 p. 1389 - 1394 |
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~%
Phenol, 4-bromo... CAS#:36718-65-7 |
| Literature: Jadhav; Rangwala Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, 1934 , vol. 3/2, p. 161 |
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~%
Phenol, 4-bromo... CAS#:36718-65-7 |
| Literature: Jadhav; Rangwala Proceedings - Indian Academy of Sciences, Section A, 1935 , vol. 1, p. 616,618 Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, 1934 , vol. 3/2, p. 161 |
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~%
Phenol, 4-bromo... CAS#:36718-65-7 |
| Literature: Jadhav; Rangwala Proceedings - Indian Academy of Sciences, Section A, 1935 , vol. 1, p. 616,618 Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, 1934 , vol. 3/2, p. 161 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-methylbenzyl 4'-nitrolbenzoate |
| 3-Methylbenzyl 4'-nitrobenzoate |
| p-Nitrobenzoesaeure-p-bromphenylester |
| 4-Nitrobenzoic acid 3-methylbenzyl ester |
| 4-bromophenyl 4-nitrobenzoate |
| m-Methylbenzyl p-nitrobenzoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of p-Bromphenyl-p-nitrobenzoat? |
| A: Molecular formula of p-Bromphenyl-p-nitrobenzoat is C13H8BrNO4. |
| Q: What is the SMILES notation of p-Bromphenyl-p-nitrobenzoat? |
| A: SMILES notation of p-Bromphenyl-p-nitrobenzoat is O=C(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1. |
| Q: What are the upstream materials of p-Bromphenyl-p-nitrobenzoat? |
| A: Related upstream materials(CAS) of p-Bromphenyl-p-nitrobenzoat: 636-98-6;106-41-2;201230-82-2;122-04-3;1429-05-6;7726-95-6. |
| Q: What is the InChIKey of p-Bromphenyl-p-nitrobenzoat? |
| A: InChIKey of p-Bromphenyl-p-nitrobenzoat is PCSBEINDFQJBPT-UHFFFAOYSA-N. |
| Q: What is the molecular weight of p-Bromphenyl-p-nitrobenzoat? |
| A: Molecular weight of p-Bromphenyl-p-nitrobenzoat is 322.11100. |
| Q: What is the CAS number of p-Bromphenyl-p-nitrobenzoat? |
| A: CAS number of p-Bromphenyl-p-nitrobenzoat is 36718-65-7. |
| Q: What is the English name of p-Bromphenyl-p-nitrobenzoat? |
| A: The English name of p-Bromphenyl-p-nitrobenzoat is p-Bromphenyl-p-nitrobenzoat. |
| Q: What English synonyms does p-Bromphenyl-p-nitrobenzoat have? |
| A: English synonyms of p-Bromphenyl-p-nitrobenzoat: 3-methylbenzyl 4'-nitrolbenzoate, 3-Methylbenzyl 4'-nitrobenzoate, p-Nitrobenzoesaeure-p-bromphenylester, 4-Nitrobenzoic acid 3-methylbenzyl ester, 4-bromophenyl 4-nitrobenzoate, m-Methylbenzyl p-nitrobenzoate. |
| Q: What is the boiling point of p-Bromphenyl-p-nitrobenzoat? |
| A: Boiling point of p-Bromphenyl-p-nitrobenzoat is 454.2ºC at 760mmHg. |
| Q: What is the LogP of p-Bromphenyl-p-nitrobenzoat? |
| A: LogP of p-Bromphenyl-p-nitrobenzoat is 4.09970. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |