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CAS No.: | 5190-68-1 |
---|---|
Name: | 4-CHLORO-QUINAZOLINE |
Article Data: | 116 |
Molecular Structure: | |
Formula: | C8H5ClN2 |
Molecular Weight: | 164.594 |
Synonyms: | 4-Chloroquinazoline;NSC 53480;4-chlorchinazolin; |
Density: | 1.349 g/cm3 |
Melting Point: | 96-100 °C |
Boiling Point: | 281 °C at 760 mmHg |
Flash Point: | 150.6 °C |
Hazard Symbols: | T |
Risk Codes: | 25-37/38-41 |
Safety: | 26-39-45 |
PSA: | 25.78000 |
LogP: | 2.28320 |
4-(methylsulfanyl)quinazoline
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% |
C15H11ClN2S
4-chloroquinazoline
Conditions | Yield |
---|---|
With sulfuryl dichloride In dichloromethane; acetonitrile at 0℃; for 0.5h; | 66% |
Conditions | Yield |
---|---|
In toluene | 29% |
In toluene | 29% |
4-Hydroxyquinazoline
phosphorus pentachloride
trichlorophosphate
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 |
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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
Hazard Codes: Xi
HazardClass of 4-Chloro-quinazoline (CAS NO.5190-68-1): IRRITANT
4-Chloro-quinazoline (CAS NO.5190-68-1), its Synonyms are Quinazoline, 4-chloro- (8CI)(9CI) ; 4-Chloroquinazoline .