2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide
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2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide
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CAS No:
5958-24-7
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Formula:
C15H10Cl2N2O
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Chemical Name:
2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide
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Synonyms:
Quinazoline,6-chloro-2-(chloromethyl)-4-phenyl-,3-oxide;2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide;2-(Chloromethyl)-6-chloro-4-phenylquinazoline 3-oxide;6-Chloro-2-(chloromethyl)-4-phenylquinazoline 3-oxide
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CAS No:
2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide Basic Attributes
305.1587
305.16
620-225-3
QNG87K5614
DTXSID00208241
Characteristics
38.4
4.72250
1.38g/cm3
109-112 °C @ Solvent: Diethyl ether
495.6ºC at 760 mmHg
253.5ºC
1.658
Safety Information
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.
2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide Use and Manufacturing
P-Nitrochlorobenzene is used as the raw material, and it is cyclized with benzylnitrile in sodium hydroxide ethanol solution to form 5-chlorobenzene-3-phenylbenzisoxazole, which is then reduced with hydrochloric acid-iron powder to open the ring. Obtain 2-amino-5-chlorobenzophenone, and then condense with hydroxylamine hydrochloride to obtain 2-amino-5-chlorobenzophenone oxime. The latter is obtained by combining chloroacetyl chloride ring.
Chlordiazepoxide (C327050) derivative.
Computed Properties
Molecular Weight:305.2
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:304.0170183
Monoisotopic Mass:304.0170183
Topological Polar Surface Area:38.4
Heavy Atom Count:20
Complexity:325
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide
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