Quinazoline
Quinazoline structure
|
Common Name | Quinazoline | ||
|---|---|---|---|---|
| CAS Number | 253-82-7 | Molecular Weight | 130.147 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 241.8±9.0 °C at 760 mmHg | |
| Molecular Formula | C8H6N2 | Melting Point | 46-48 °C(lit.) | |
| MSDS | N/A | Flash Point | 106.7±0.0 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | quinazoline |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 241.8±9.0 °C at 760 mmHg |
| Melting Point | 46-48 °C(lit.) |
| Molecular Formula | C8H6N2 |
| Molecular Weight | 130.147 |
| Flash Point | 106.7±0.0 °C |
| Exact Mass | 130.053101 |
| PSA | 25.78000 |
| LogP | 0.89 |
| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
| Index of Refraction | 1.653 |
| InChIKey | JWVCLYRUEFBMGU-UHFFFAOYSA-N |
| SMILES | c1ccc2ncncc2c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S22-S24/25 |
| WGK Germany | 3 |
| HS Code | 2933990090 |
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 8 | |
|---|---|
| DownStream 9 | |
CAS#:50-00-0
CAS#:4403-69-4
CAS#:271-58-9
CAS#:64-17-5
CAS#:201230-82-2
CAS#:20627-73-0
CAS#:77287-34-4
CAS#:3433-80-5
CAS#:491-36-1
CAS#:905-97-5
CAS#:612-96-4
CAS#:848841-54-3
CAS#:89892-21-7
CAS#:1899-48-5
CAS#:2721-59-7
CAS#:7556-95-8
CAS#:25559-38-0This 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.
|
Name: Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from huma...
Source: ChEMBL
Target: Epidermal growth factor receptor
External Id: CHEMBL680021
|
|
Name: Inhibition of NADH fumarate reductase in Echinococcus multilocularis protoscolece
Source: ChEMBL
Target: N/A
External Id: CHEMBL1054594
|
|
Name: Inhibition of liver dihydrofolate reductase (unknown origin)
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL3280748
|
|
Name: ASTRAZENECA: Octan-1-ol/water (pH7.4) distribution coefficent measured by a shake fl...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3301363
|
|
Name: The concentration required to inhibit dihydrofolate reductase in rat liver
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL666235
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5,6-Benzopyrimidine |
| Phenmiazine |
| Benzo[a]pyrimidine |
| 1,3-Diazanaphthalene |
| Quinazoline |
| MFCD00006712 |
| EINECS 205-965-3 |
| 1,3-Benzodiazine |
| Benzopyrimidine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of quinazoline? |
| A: Related downstream products(CAS) of quinazoline: 491-36-1;905-97-5;612-96-4;848841-54-3;89892-21-7;1899-48-5;2721-59-7;7556-95-8;25559-38-0. |
| Q: What is the SMILES notation of quinazoline? |
| A: SMILES notation of quinazoline is c1ccc2ncncc2c1. |
| Q: What is the molecular weight of quinazoline? |
| A: Molecular weight of quinazoline is 130.147. |
| Q: What is the InChIKey of quinazoline? |
| A: InChIKey of quinazoline is JWVCLYRUEFBMGU-UHFFFAOYSA-N. |
| Q: What is the molecular formula of quinazoline? |
| A: Molecular formula of quinazoline is C8H6N2. |
| Q: What is the polar surface area (PSA) of quinazoline? |
| A: Polar surface area (PSA) of quinazoline is 25.78000. |
| Q: What is the boiling point of quinazoline? |
| A: Boiling point of quinazoline is 241.8±9.0 °C at 760 mmHg. |
| Q: What is the melting point of quinazoline? |
| A: Melting point of quinazoline is 46-48 °C(lit.). |
| Q: What is the CAS number of quinazoline? |
| A: CAS number of quinazoline is 253-82-7. |
| Q: What English synonyms does quinazoline have? |
| A: English synonyms of quinazoline: 5,6-Benzopyrimidine, Phenmiazine, Benzo[a]pyrimidine, 1,3-Diazanaphthalene, Quinazoline, MFCD00006712, EINECS 205-965-3, 1,3-Benzodiazine, Benzopyrimidine. |
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. |