Benzoic acid,2-chloro-, phenyl ester
Benzoic acid,2-chloro-, phenyl ester structure
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Common Name | Benzoic acid,2-chloro-, phenyl ester | ||
|---|---|---|---|---|
| CAS Number | 41998-16-7 | Molecular Weight | 232.66200 | |
| Density | 1.258g/cm3 | Boiling Point | 356.3ºC at 760mmHg | |
| Molecular Formula | C13H9ClO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 185.1ºC | |
Summary: Phenyl 2-chlorobenzoate, also known as 2-chlorobenzoic acid phenyl ester, with CAS number 41998-16-7, molecular formula C13H9ClO2, and molecular weight 232.66200. 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 | phenyl 2-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 | 1.258g/cm3 |
|---|---|
| Boiling Point | 356.3ºC at 760mmHg |
| Molecular Formula | C13H9ClO2 |
| Molecular Weight | 232.66200 |
| Flash Point | 185.1ºC |
| Exact Mass | 232.02900 |
| PSA | 26.30000 |
| LogP | 3.55920 |
| Index of Refraction | 1.594 |
| InChIKey | RBKABBZAJGDBFA-UHFFFAOYSA-N |
| SMILES | O=C(Oc1ccccc1)c1ccccc1Cl |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2916399090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~65%
Benzoic acid,2-... CAS#:41998-16-7 |
| Literature: Yoshida, Hiroto; Mimura, Yasuhiro; Ohshita, Joji; Kunai, Atsutaka Chemical Communications, 2007 , # 23 p. 2405 - 2407 |
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~69%
Benzoic acid,2-... CAS#:41998-16-7 |
| Literature: Chen, Jiuxi; Peng, Yong; Liu, Miaochang; Ding, Jinchang; Su, Weike; Wu, Huayue Advanced Synthesis and Catalysis, 2012 , vol. 354, # 11-12 p. 2117 - 2122 |
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~83%
Benzoic acid,2-... CAS#:41998-16-7 |
| Literature: Luo, Fang; Pan, Changduo; Qian, Pengcheng; Cheng, Jiang Synthesis, 2010 , # 12 art. no. F03910SS, p. 2005 - 2010 |
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~57%
Benzoic acid,2-... CAS#:41998-16-7 |
| Literature: Nummert, Vilve; Piirsalu, Mare; Maeemets, Vahur; Koppel, Ilmar Collection of Czechoslovak Chemical Communications, 2006 , vol. 71, # 1 p. 107 - 128 |
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~15%
Benzoic acid,2-... CAS#:41998-16-7 |
| Literature: Reddy, R. Sudarshan; Rosa, Joao N.; Veiros, Luis F.; Caddick, Stephen; Gois, Pedro M. P. Organic and Biomolecular Chemistry, 2011 , vol. 9, # 9 p. 3126 - 3129 |
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~38%
Benzoic acid,2-... CAS#:41998-16-7 |
| Literature: Hashimoto, Shizunobu; Furukawa, Isao Bulletin of the Chemical Society of Japan, 1981 , vol. 54, # 9 p. 2839 - 2840 |
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~%
Benzoic acid,2-... CAS#:41998-16-7 |
| Literature: Saunders Journal of the American Chemical Society, 1955 , vol. 77, p. 4679 |
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~%
Benzoic acid,2-... CAS#:41998-16-7 |
| Literature: Michaelis; Kerkhof Chemische Berichte, 1898 , vol. 31, p. 2178 |
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~%
Benzoic acid,2-... CAS#:41998-16-7 |
| Literature: Nakazawa; Baba Yakugaku Zasshi, 1955 , vol. 75, p. 378,380 Chem.Abstr., 1956 , p. 2510 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 4 | |
CAS#:17849-38-6
CAS#:7335-25-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Phenyl-2-chlorbenzoat |
| phenyl 2-bromopropionate |
| 2-bromo-propionic acid phenyl ester |
| 2-Brom-propionsaeure-phenylester |
| o-Chlorbenzoesaeurephenylester |
| 2-chloro-benzoic acid phenyl ester |
| (+-)-Phenyl-(2-brom-propionat) |
| 2-Chlor-benzoesaeure-phenylester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of phenyl 2-chlorobenzoate? |
| A: SMILES notation of phenyl 2-chlorobenzoate is O=C(Oc1ccccc1)c1ccccc1Cl. |
| Q: What is the English name of phenyl 2-chlorobenzoate? |
| A: The English name of phenyl 2-chlorobenzoate is phenyl 2-chlorobenzoate. |
| Q: What are the downstream products of phenyl 2-chlorobenzoate? |
| A: Related downstream products(CAS) of phenyl 2-chlorobenzoate: 17849-38-6;7335-25-3;118-91-2;108-95-2. |
| Q: What are the upstream materials of phenyl 2-chlorobenzoate? |
| A: Related upstream materials(CAS) of phenyl 2-chlorobenzoate: 88284-48-4;1885-14-9;609-65-4;98-80-6;2996-92-1;118-91-2;108-95-2;89-98-5;106-41-2;79-21-0. |
| Q: What English synonyms does phenyl 2-chlorobenzoate have? |
| A: English synonyms of phenyl 2-chlorobenzoate: Phenyl-2-chlorbenzoat, phenyl 2-bromopropionate, 2-bromo-propionic acid phenyl ester, 2-Brom-propionsaeure-phenylester, o-Chlorbenzoesaeurephenylester, 2-chloro-benzoic acid phenyl ester, (+-)-Phenyl-(2-brom-propionat), 2-Chlor-benzoesaeure-phenylester. |
| Q: What is the boiling point of phenyl 2-chlorobenzoate? |
| A: Boiling point of phenyl 2-chlorobenzoate is 356.3ºC at 760mmHg. |
| Q: What is the CAS number of phenyl 2-chlorobenzoate? |
| A: CAS number of phenyl 2-chlorobenzoate is 41998-16-7. |
| Q: What is the polar surface area (PSA) of phenyl 2-chlorobenzoate? |
| A: Polar surface area (PSA) of phenyl 2-chlorobenzoate is 26.30000. |
| Q: What is the Chinese name of 41998-16-7? |
| A: Chinese name of 41998-16-7 is 41998-16-7. |
| Q: What is the molecular weight of phenyl 2-chlorobenzoate? |
| A: Molecular weight of phenyl 2-chlorobenzoate is 232.66200. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |