5-Fluoro-2,4-quinazolinediamine
5-Fluoro-2,4-quinazolinediamine structure
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Common Name | 5-Fluoro-2,4-quinazolinediamine | ||
|---|---|---|---|---|
| CAS Number | 119584-70-2 | Molecular Weight | 178.166 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 463.1±53.0 °C at 760 mmHg | |
| Molecular Formula | C8H7FN4 | Melting Point | 245-248°C | |
| MSDS | N/A | Flash Point | 233.9±30.9 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Fluoro-2,4-diaminoquinazoline |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 463.1±53.0 °C at 760 mmHg |
| Melting Point | 245-248°C |
| Molecular Formula | C8H7FN4 |
| Molecular Weight | 178.166 |
| Flash Point | 233.9±30.9 °C |
| Exact Mass | 178.065475 |
| PSA | 77.82000 |
| LogP | 1.01 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.757 |
| InChIKey | ZFIDHZVBIBPRBQ-UHFFFAOYSA-N |
| SMILES | Nc1nc(N)c2c(F)cccc2n1 |
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.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S26-S36 |
| RTECS | VA1367730 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~91%
5-Fluoro-2,4-qu... CAS#:119584-70-2 |
| Literature: Hynes, John B.; Pathak, Alpana; Panos, Constantina H.; Okeke, Claudia C. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1173 - 1177 |
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~35%
5-Fluoro-2,4-qu... CAS#:119584-70-2 |
| Literature: Harris, Neil V.; Smith, Christopher; Bowden, Keith Journal of Medicinal Chemistry, 1990 , vol. 33, # 1 p. 434 - 444 |
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~16%
5-Fluoro-2,4-qu... CAS#:119584-70-2 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 29, # 4 p. 915 - 920 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff: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: Acute toxicity determined in mice by an LD50 test when administered perorally
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL877795
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Name: Antiviral activity against Dengue virus 2 infected in BHK-D2RepT replicon systems ass...
Source: ChEMBL
Target: dengue virus type 2
External Id: CHEMBL2044697
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Name: Acute toxicity determined in mice by an LD50 test when administered intraperitoneally
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL738035
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Name: Antibacterial activity (10 e-6 log (1/MIC) towards Escherichia coli
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL675030
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Name: In vitro inhibition of Staphylococcus aureus (NTCT6571A) Dihydrofolate reductase.
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL665874
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Name: In vitro inhibition of Escherichia coli (B41) Dihydrofolate reductase.
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL668340
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Name: In vitro inhibition of Bovine liver dihydrofolate reductase.
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL669349
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Name: Dissociation constant was determined using UV method
Source: ChEMBL
Target: N/A
External Id: CHEMBL632412
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-fluoroquinazoline-2,4-diamine |
| MFCD00221785 |
| 5-Fluoro-2,4-quinazolinediamine |
| 2,4-Diamino-5-fluoroquinazoline |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 5-Fluoro-2,4-diaminoquinazoline? |
| A: LogP of 5-Fluoro-2,4-diaminoquinazoline is 1.01. |
| Q: What is the SMILES notation of 5-Fluoro-2,4-diaminoquinazoline? |
| A: SMILES notation of 5-Fluoro-2,4-diaminoquinazoline is Nc1nc(N)c2c(F)cccc2n1. |
| Q: What is the molecular weight of 5-Fluoro-2,4-diaminoquinazoline? |
| A: Molecular weight of 5-Fluoro-2,4-diaminoquinazoline is 178.166. |
| Q: What is the English name of 5-Fluoro-2,4-diaminoquinazoline? |
| A: The English name of 5-Fluoro-2,4-diaminoquinazoline is 5-Fluoro-2,4-diaminoquinazoline. |
| Q: What is the InChIKey of 5-Fluoro-2,4-diaminoquinazoline? |
| A: InChIKey of 5-Fluoro-2,4-diaminoquinazoline is ZFIDHZVBIBPRBQ-UHFFFAOYSA-N. |
| Q: What is the safety information for 5-Fluoro-2,4-diaminoquinazoline? |
| A: Safety information for 5-Fluoro-2,4-diaminoquinazoline: S26-S36. |
| Q: What English synonyms does 5-Fluoro-2,4-diaminoquinazoline have? |
| A: English synonyms of 5-Fluoro-2,4-diaminoquinazoline: 5-fluoroquinazoline-2,4-diamine, MFCD00221785, 5-Fluoro-2,4-quinazolinediamine, 2,4-Diamino-5-fluoroquinazoline. |
| Q: What is the boiling point of 5-Fluoro-2,4-diaminoquinazoline? |
| A: Boiling point of 5-Fluoro-2,4-diaminoquinazoline is 463.1±53.0 °C at 760 mmHg. |
| Q: What is the CAS number of 5-Fluoro-2,4-diaminoquinazoline? |
| A: CAS number of 5-Fluoro-2,4-diaminoquinazoline is 119584-70-2. |
| Q: What is the molecular formula of 5-Fluoro-2,4-diaminoquinazoline? |
| A: Molecular formula of 5-Fluoro-2,4-diaminoquinazoline is C8H7FN4. |
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. |