Bentranil structure
|
Common Name | Bentranil | ||
|---|---|---|---|---|
| CAS Number | 1022-46-4 | Molecular Weight | 223.22700 | |
| Density | 1.23g/cm3 | Boiling Point | 189-192ºC8 mm Hg(lit.) | |
| Molecular Formula | C14H9NO2 | Melting Point | 123-125ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 163ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of BentranilBentranil is pesticide agent. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | bentranil |
|---|---|
| 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 | 1.23g/cm3 |
|---|---|
| Boiling Point | 189-192ºC8 mm Hg(lit.) |
| Melting Point | 123-125ºC(lit.) |
| Molecular Formula | C14H9NO2 |
| Molecular Weight | 223.22700 |
| Flash Point | 163ºC |
| Exact Mass | 223.06300 |
| PSA | 43.10000 |
| LogP | 2.85500 |
| Vapour Pressure | 5.32E-05mmHg at 25°C |
| Index of Refraction | 1.634 |
| InChIKey | HTTLBYITFHMYFK-UHFFFAOYSA-N |
| SMILES | O=c1oc(-c2ccccc2)nc2ccccc12 |
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 | 26-37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2934999027 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999027 |
|---|---|
| Summary | 2934999027 3-isopropyl-1h-benzo[c][1,2,6]thiadiazin-4(3h)-one 2,2-dioxide。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Cell survival assay for modulators of telomere damage signalling
Source: 15378
Target: N/A
External Id: TELO_02
|
|
Name: In vitro inhibitory activity against human leukocyte elastase (HLE), at a concentrati...
Source: ChEMBL
Target: Neutrophil elastase
External Id: CHEMBL676210
|
|
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
|
|
Name: Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR by scinti...
Source: ChEMBL
Target: Adenosine receptor A1
External Id: CHEMBL4625018
|
|
Name: In vitro inhibitory activity against human leukocyte elastase (HLE), at a concentrati...
Source: ChEMBL
Target: Neutrophil elastase
External Id: CHEMBL676209
|
|
Name: Displacement of [3H]NECA from Sprague-Dawley rat striatal membrane A2A adenosine rece...
Source: ChEMBL
Target: Adenosine receptor A2a
External Id: CHEMBL4625020
|
|
Name: In vitro inhibitory activity against human leukocyte elastase (HLE), at a concentrati...
Source: ChEMBL
Target: Neutrophil elastase
External Id: CHEMBL676211
|
|
Name: Inhibition of human leukocyte elastase
Source: ChEMBL
Target: Neutrophil elastase
External Id: CHEMBL858400
|
|
Name: Inhibition of recombinant Escherichia coli N-terminal His-tagged rhomboid protease Gl...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4188950
|
|
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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4H-3,1-BENZOXAZIN-4-ONE,2-PHENYL |
| 2-phenyl-3,1-benzoxazin-4-one |
| MFCD00043598 |
| Bentranil |
| 2-phenyl-1,2-dihydro-4H-3,1-benzoxazin-4-one |
| Linurotox |
| Linarotox |
| 2-phenylbenzoxazinone |
| 2-phenyl-4H-3,1-benzoxazin-4-one |
| H-170 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of bentranil? |
| A: Polar surface area (PSA) of bentranil is 43.10000. |
| Q: What are the downstream products of bentranil? |
| A: Related downstream products(CAS) of bentranil: 6484-25-9;579-93-1;30909-95-6;1022-45-3;148321-04-4;17240-30-1;123845-83-0;1904-60-5;18543-23-2;100-52-7. |
| Q: What is the LogP of bentranil? |
| A: LogP of bentranil is 2.85500. |
| Q: What is the melting point of bentranil? |
| A: Melting point of bentranil is 123-125ºC(lit.). |
| Q: What is the safety information for bentranil? |
| A: Safety information for bentranil: 26-37/39. |
| Q: What English synonyms does bentranil have? |
| A: English synonyms of bentranil: 4H-3,1-BENZOXAZIN-4-ONE,2-PHENYL, 2-phenyl-3,1-benzoxazin-4-one, MFCD00043598, Bentranil, 2-phenyl-1,2-dihydro-4H-3,1-benzoxazin-4-one, Linurotox, Linarotox, 2-phenylbenzoxazinone, 2-phenyl-4H-3,1-benzoxazin-4-one, H-170. |
| Q: What is the molecular weight of bentranil? |
| A: Molecular weight of bentranil is 223.22700. |
| Q: What are the upstream materials of bentranil? |
| A: Related upstream materials(CAS) of bentranil: 98-88-4;118-92-3;948-65-2;201230-82-2;615-43-0;31588-18-8;579-93-1;326903-42-8;70787-27-8;118-48-9. |
| Q: What are the uses of bentranil? |
| A: Main uses of bentranil: Bentranil is pesticide agent. |
| Q: What is the SMILES notation of bentranil? |
| A: SMILES notation of bentranil is O=c1oc(-c2ccccc2)nc2ccccc12. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |