Methyl 2-sulfamoylbenzoate
Methyl 2-sulfamoylbenzoate structure
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Common Name | Methyl 2-sulfamoylbenzoate | ||
|---|---|---|---|---|
| CAS Number | 57683-71-3 | Molecular Weight | 215.226 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 401.4±47.0 °C at 760 mmHg | |
| Molecular Formula | C8H9NO4S | Melting Point | 126-128 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 196.6±29.3 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-aminosulfonyl-benzoic acid methyl ester |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 401.4±47.0 °C at 760 mmHg |
| Melting Point | 126-128 °C(lit.) |
| Molecular Formula | C8H9NO4S |
| Molecular Weight | 215.226 |
| Flash Point | 196.6±29.3 °C |
| Exact Mass | 215.025223 |
| PSA | 94.84000 |
| LogP | 0.30 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.557 |
| InChIKey | VSOOBQALJVLTBH-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccccc1S(N)(=O)=O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | DH6830000 |
| HS Code | 2935009090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
Methyl 2-sulfam... CAS#:57683-71-3 |
| Literature: Tetrahedron Letters, , vol. 37, # 8 p. 1145 - 1148 |
|
~65%
Methyl 2-sulfam... CAS#:57683-71-3 |
| Literature: Lee, Yu-Ting; Cui, Chang-Jun; Chow, Eve W. L.; Pue, Nason; Lonhienne, Thierry; Wang, Jian-Guo; Fraser, James A.; Guddat, Luke W. Journal of Medicinal Chemistry, 2013 , vol. 56, # 1 p. 210 - 219 |
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~%
Methyl 2-sulfam... CAS#:57683-71-3 |
| Literature: American Chemical Journal, , vol. 11, p. 334 American Chemical Journal, , vol. 9, p. 406 Chemische Berichte, , vol. 26, p. 2287 |
|
~%
Methyl 2-sulfam... CAS#:57683-71-3 |
| Literature: DE101483 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 5, p. 877 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 7 | |
CAS#:102169-52-8
CAS#:34989-82-7![Methyl 2-[(oxomethylene)sulfamoyl]benzoate structure](https://image.chemsrc.com/caspic/335/74222-95-0.png)
CAS#:74222-95-0
CAS#:74223-63-5
CAS#:911392-01-3![3-Phenylbenzo[D]Isothiazole 1,1-Dioxide structure](https://image.chemsrc.com/caspic/006/53440-57-6.png)
CAS#:53440-57-6
CAS#:61798-56-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2935009090 |
|---|---|
| Summary | 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Application of liquid chromatography/electrospray ionization tandem mass spectrometry for the elucidation of hydroxyl radical oxidation of metsulfuron methyl and related sulfonylurea pesticide products: evidence for the triazine skeleton scission.
Rapid Commun. Mass Spectrom. 29 , 1370-80, (2015) Sulfonylureas are among the most important class of antidiabetic and herbicides. Solar light excitation and Advanced Oxidation Processes may result in the formation of a wide array of products owing t... |
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Preparation of 2-(1-Phenyl-1H-pyrazol-5-yl) benzenesulfonamides from Polylithiated C (alpha), N-Phenylhydrazones and Methyl 2-(Aminosulfonyl) benzoate.
J. Heterocycl. Chem. 42(6) , 1095, (2005)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Binding affinity against human carbonic anhydrase (hCA).
Source: ChEMBL
Target: Carbonic anhydrase 3
External Id: CHEMBL662691
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Name: Binding constant against human Carbonic anhydrase II
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL828405
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Name: Inhibitory activity against Carbonic anhydrase I
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL827891
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Inhibitory concentration against human cystolic isozyme V of Carbonic anhydrase
Source: ChEMBL
Target: Carbonic anhydrase 5A, mitochondrial
External Id: CHEMBL827937
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Name: Inhibitory concentration against human cystolic isozyme II of Carbonic anhydrase
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL828069
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: CA Inhibition Assay from Article 10.1021/jm0494826: "Carbonic anhydrase inhibitors: s...
Source: BindingDB
Target: N/A
External Id: BindingDB_1557_1
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Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Aminosulfonyl-benzoic acid methyl ester |
| Methyl 2-sulfamoylbenzoate |
| o-Carbomethoxybenzene sufonamide |
| MFCD00009808 |
| Benzoic acid, 2-(aminosulfonyl)-, methyl ester |
| 2-Carbomethoxybenzenesulfonamide |
| EINECS 260-903-2 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 2-aminosulfonyl-benzoic acid methyl ester? |
| A: Melting point of 2-aminosulfonyl-benzoic acid methyl ester is 126-128 °C(lit.). |
| Q: What is the molecular formula of 2-aminosulfonyl-benzoic acid methyl ester? |
| A: Molecular formula of 2-aminosulfonyl-benzoic acid methyl ester is C8H9NO4S. |
| Q: What is the English name of 2-aminosulfonyl-benzoic acid methyl ester? |
| A: The English name of 2-aminosulfonyl-benzoic acid methyl ester is 2-aminosulfonyl-benzoic acid methyl ester. |
| Q: What is the SMILES notation of 2-aminosulfonyl-benzoic acid methyl ester? |
| A: SMILES notation of 2-aminosulfonyl-benzoic acid methyl ester is COC(=O)c1ccccc1S(N)(=O)=O. |
| Q: What is the InChIKey of 2-aminosulfonyl-benzoic acid methyl ester? |
| A: InChIKey of 2-aminosulfonyl-benzoic acid methyl ester is VSOOBQALJVLTBH-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2-aminosulfonyl-benzoic acid methyl ester? |
| A: Molecular weight of 2-aminosulfonyl-benzoic acid methyl ester is 215.226. |
| Q: What is the boiling point of 2-aminosulfonyl-benzoic acid methyl ester? |
| A: Boiling point of 2-aminosulfonyl-benzoic acid methyl ester is 401.4±47.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 2-aminosulfonyl-benzoic acid methyl ester? |
| A: Polar surface area (PSA) of 2-aminosulfonyl-benzoic acid methyl ester is 94.84000. |
| Q: What are the downstream products of 2-aminosulfonyl-benzoic acid methyl ester? |
| A: Related downstream products(CAS) of 2-aminosulfonyl-benzoic acid methyl ester: 102169-52-8;34989-82-7;74222-95-0;74223-63-5;911392-01-3;53440-57-6;61798-56-9. |
| Q: What is the CAS number of 2-aminosulfonyl-benzoic acid methyl ester? |
| A: CAS number of 2-aminosulfonyl-benzoic acid methyl ester is 57683-71-3. |
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. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: Methyl 2-sulfamoylbenzoate
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 2-carbomethoxybenzenesulfonamide
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Henan Tianfu Chemical Co., Ltd.
- China
- Product Name: 57683-71-3 2-Carbomethoxybenzenesulfonamide
- Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Anson
- Email: info@tianfuchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: Methyl 2-sulfamoylbenzoate
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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