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Cas Database |
| Name |
4-Chloroquinazoline |
EINECS | N/A |
| CAS No. | 5190-68-1 | Density | 1.349 g/cm3 |
| PSA | 25.78000 | LogP | 2.28320 |
| Solubility | N/A | Melting Point |
96-100 °C |
| Formula | C8H5ClN2 | Boiling Point | 281 °C at 760 mmHg |
| Molecular Weight | 164.594 | Flash Point | 150.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-39-45 | Risk Codes | 25-37/38-41 |
| Molecular Structure |
|
Hazard Symbols |
 T
|
| Synonyms |
4-Chloroquinazoline;NSC 53480;4-chlorchinazolin; |
Article Data | 116 |
4-Chloroquinazoline Synthetic route
- 13182-59-7
4-(methylsulfanyl)quinazoline
- 5190-68-1
4-chloroquinazoline
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride In dichloromethane; acetonitrile at 0℃; for 0.5h; | 99% |
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride; trichlorophosphate for 0.333333h; Heating / reflux; | 93% |
| With trichlorophosphate at 100℃; for 4h; | 92% |
| With thionyl chloride for 3h; Reflux; | 89.7% |
| Conditions | Yield |
|---|---|
| With thionyl chloride Reflux; | 92.7% |
| With thionyl chloride Reflux; | 92.7% |
| With thionyl chloride Reflux; | 92.7% |
| Conditions | Yield |
|---|---|
| With 1,2-dichloro-ethane In dimethyl sulfoxide; N,N-dimethyl-formamide Reflux; | 81% |
| With N-ethyl-N,N-diisopropylamine; trichlorophosphate for 2h; Heating / reflux; | 60% |
| With trichlorophosphate at 115℃; for 8h; | |
| With thionyl chloride | |
| With trichlorophosphate at 115℃; |
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride In dichloromethane; acetonitrile at 0℃; for 0.5h; | 79% |
- 722467-26-7
C15H11ClN2S
- 5190-68-1
4-chloroquinazoline
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride In dichloromethane; acetonitrile at 0℃; for 0.5h; | 66% |
| Conditions | Yield |
|---|---|
| In toluene | 29% |
| In toluene | 29% |
- 491-36-1
4-Hydroxyquinazoline
- 10026-13-8, 874483-75-7
phosphorus pentachloride
- 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate
- 5190-68-1
4-chloroquinazoline
| Conditions | Yield |
|---|---|
| Stage #1: anthranilic acid; formamide Cyclization; Stage #2: With trichlorophosphate for 3h; Substitution; Heating; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 95.4 percent / Heating 2: 54.5 percent / PCl5; POCl3 / 24 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: Heating 2: phosphorus oxychloride, phosphorus pentachloride / 5.5 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: 4 h / 120 - 125 °C 2: phosphorus pentachloride; trichlorophosphate / 4 h / 118 - 120 °C View Scheme |
4-Chloroquinazoline Chemical Properties
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IUPAC Name: 4-Chloroquinazoline
Empirical Formula: C8H5ClN2
Molecular Weight: 164.5917
Canonical SMILES: C1=CC=C2C(=C1)C(=NC=N2)Cl
InChI: InChI=1S/C8H5ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H
InChIKey: GVRRXASZZAKBMN-UHFFFAOYSA-N
XLogP3: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Index of Refraction: 1.662
Molar Refractivity: 45.17 cm3
Molar Volume: 121.9 cm3
Surface Tension: 57.1 dyne/cm
Density: 1.349 g/cm3
Flash Point: 150.6 °C
Enthalpy of Vaporization: 49.88 kJ/mol
Boiling Point: 281 °C at 760 mmHg
Vapour Pressure: 0.00624 mmHg at 25 °C
Product Categories of 4-Chloro-quinazoline (CAS NO.5190-68-1): Halides; Heterocycles; pharmacetical
4-Chloroquinazoline Safety Profile
Hazard Codes: 
Xi
HazardClass of 4-Chloro-quinazoline (CAS NO.5190-68-1): IRRITANT
4-Chloroquinazoline Specification
4-Chloro-quinazoline (CAS NO.5190-68-1), its Synonyms are Quinazoline, 4-chloro- (8CI)(9CI) ; 4-Chloroquinazoline .
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