Benzoicacid, 4-chloro-, 4-nitrophenyl ester
Benzoicacid, 4-chloro-, 4-nitrophenyl ester structure
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Common Name | Benzoicacid, 4-chloro-, 4-nitrophenyl ester | ||
|---|---|---|---|---|
| CAS Number | 6264-29-5 | Molecular Weight | 277.66000 | |
| Density | 1.412g/cm3 | Boiling Point | 439ºC at 760mmHg | |
| Molecular Formula | C13H8ClNO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 219.3ºC | |
Summary: (4-nitrophenyl) 4-chlorobenzoate, also known as Benzoic acid, 4-chloro-, 4-nitrophenyl ester, CAS号 6264-29-5, molecular formula C13H8ClNO4, molecular weight 277.66. 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 | (4-nitrophenyl) 4-chlorobenzoate |
|---|---|
| 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 | 1.412g/cm3 |
|---|---|
| Boiling Point | 439ºC at 760mmHg |
| Molecular Formula | C13H8ClNO4 |
| Molecular Weight | 277.66000 |
| Flash Point | 219.3ºC |
| Exact Mass | 277.01400 |
| PSA | 72.12000 |
| LogP | 3.99060 |
| Index of Refraction | 1.622 |
| InChIKey | PCOGDBDOULFSKE-UHFFFAOYSA-N |
| SMILES | O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~78%
Benzoicacid, 4-... CAS#:6264-29-5 |
| Literature: Zhang, Manli; Zhang, Shouhui; Zhang, Guoying; Chen, Fan; Cheng, Jiang Tetrahedron Letters, 2011 , vol. 52, # 19 p. 2480 - 2483 |
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~88%
Benzoicacid, 4-... CAS#:6264-29-5 |
| Literature: Zhang, Di; Pan, Changduo Catalysis Communications, 2012 , vol. 20, p. 41 - 45 |
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~%
Benzoicacid, 4-... CAS#:6264-29-5 |
| Literature: Yasinskii,O.A. et al. J. Gen. Chem. USSR (Engl. Transl.), 1977 , vol. 47, p. 211 - 217,194 - 198 |
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~%
Benzoicacid, 4-... CAS#:6264-29-5 |
| Literature: Kim, Sunggak; Lee, Jae In; Kim, Youn Chul Journal of Organic Chemistry, 1985 , vol. 50, # 5 p. 560 - 565 |
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~%
Benzoicacid, 4-... CAS#:6264-29-5 |
| Literature: Menegheli, Paulo; Farah, Joao P. S.; Seoud, Omar A. El Berichte der Bunsen-Gesellschaft, 1991 , vol. 95, # 12 p. 1610 - 1615 |
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~%
Benzoicacid, 4-... CAS#:6264-29-5 |
| Literature: Farah, Joao P. S.; Seoud, Monica I. El; Seoud, Omar A. El Journal of Organic Chemistry, 1984 , vol. 49, # 21 p. 4063 - 4065 |
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~%
Benzoicacid, 4-... CAS#:6264-29-5 |
| Literature: Matsukawa et al. Yakugaku Zasshi, 1951 , vol. 71, p. 477,479 Chem.Abstr., 1952 , p. 454 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 10 | |
CAS#:1871-38-1
CAS#:14609-74-6![3-[6-(4-chloro-3-ethylphenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one structure](https://image.chemsrc.com/caspic/311/4641-33-2.png)
CAS#:4641-33-2
CAS#:26163-40-6
CAS#:42824-44-2
CAS#:71320-77-9
CAS#:7335-27-5
CAS#:536-40-3
CAS#:13014-48-7This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Binding affinity to chymotrypsin (unknown origin) assessed as acetylation at pH 7
Source: ChEMBL
Target: N/A
External Id: CHEMBL3284066
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Name: Binding affinity to chymotrypsin (unknown origin) assessed as deacetylation
Source: ChEMBL
Target: N/A
External Id: CHEMBL3284067
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Name: Binding affinity to chymotrypsin (unknown origin) assessed as acetylation at pH 6
Source: ChEMBL
Target: N/A
External Id: CHEMBL3284069
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| p-chlorobenzoic acid p-nitrophenyl ester |
| 4-chloro-benzoic acid-(4-nitro-phenyl ester) |
| 4-Chlor-benzoesaeure-(4-nitro-phenylester) |
| 4-nitrophenyl 4-chlorobenzoate |
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 (4-nitrophenyl) 4-chlorobenzoate? |
| A: Molecular formula of (4-nitrophenyl) 4-chlorobenzoate is C13H8ClNO4. |
| Q: What is the polar surface area (PSA) of (4-nitrophenyl) 4-chlorobenzoate? |
| A: Polar surface area (PSA) of (4-nitrophenyl) 4-chlorobenzoate is 72.12000. |
| Q: What are the downstream products of (4-nitrophenyl) 4-chlorobenzoate? |
| A: Related downstream products(CAS) of (4-nitrophenyl) 4-chlorobenzoate: 1871-38-1;14609-74-6;4641-33-2;100-02-7;26163-40-6;42824-44-2;71320-77-9;7335-27-5;536-40-3;13014-48-7. |
| Q: What is the Chinese name of 6264-29-5? |
| A: Chinese name of 6264-29-5 is 6264-29-5. |
| Q: What is the SMILES notation of (4-nitrophenyl) 4-chlorobenzoate? |
| A: SMILES notation of (4-nitrophenyl) 4-chlorobenzoate is O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1. |
| Q: What English synonyms does (4-nitrophenyl) 4-chlorobenzoate have? |
| A: English synonyms of (4-nitrophenyl) 4-chlorobenzoate: p-chlorobenzoic acid p-nitrophenyl ester, 4-chloro-benzoic acid-(4-nitro-phenyl ester), 4-Chlor-benzoesaeure-(4-nitro-phenylester), 4-nitrophenyl 4-chlorobenzoate. |
| Q: What is the LogP of (4-nitrophenyl) 4-chlorobenzoate? |
| A: LogP of (4-nitrophenyl) 4-chlorobenzoate is 3.99060. |
| Q: What is the molecular weight of (4-nitrophenyl) 4-chlorobenzoate? |
| A: Molecular weight of (4-nitrophenyl) 4-chlorobenzoate is 277.66000. |
| Q: What is the English name of (4-nitrophenyl) 4-chlorobenzoate? |
| A: The English name of (4-nitrophenyl) 4-chlorobenzoate is (4-nitrophenyl) 4-chlorobenzoate. |
| Q: What is the InChIKey of (4-nitrophenyl) 4-chlorobenzoate? |
| A: InChIKey of (4-nitrophenyl) 4-chlorobenzoate is PCOGDBDOULFSKE-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |