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Cas Database

Name	Cmpcqo	EINECS	N/A
CAS No.	5958-24-7	Density	1.38 g/cm³
PSA	38.35000	LogP	4.72250
Solubility	N/A	Melting Point	N/A
Formula	C₁₅H₁₀Cl₂N₂O	Boiling Point	495.6 °C at 760 mmHg
Molecular Weight	305.163	Flash Point	253.5 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	6-Chloro-2-(chloromethyl)-4-phenyl quinazoline-3-oxide;6-chloro-2-(choromethyl)-4-phenylquina- zoline-3-oxide,5958-24-7;Quinazoline, 6-chloro-2-(chloromethyl)-4-phenyl-, 3-oxide;2-Chloromethyl-4-phenyl-6-chloroquinazoline-3-oxide;6-chloro-2-(chloromethyl)-3-oxido-4-phenyl-quinazoline;	Article Data	11

Cmpcqo Synthetic route

: 79-04-9
chloroacetyl chloride

: 18097-52-4
2-amino-5-chlorobenzophenone oxime

: 5958-24-7
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

Conditions

Conditions	Yield
In acetic acid at 50℃; for 0.166667h;	74%

: 719-59-5
2-Amino-5-chlorobenzophenone

: 5958-24-7
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 89 percent / NH2OH*HCl / aq. ethanol / 10 h / Heating 2: 74 percent / acetic acid / 0.17 h / 50 °C View Scheme

: 5958-24-7
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

: 124-40-3
dimethyl amine

: 72624-66-9
6-Chlor-2-(dimethylamino)methyl-4-phenyl-chinazolin-3-oxid

Conditions

Conditions	Yield
In methanol for 72h; Ambient temperature;	97%

: 5958-24-7
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

: 7722-15-8
N-Demethylchlordiazepoxide

Conditions

Conditions	Yield
With ammonia In methanol for 72h; Ambient temperature;	96%

: 5958-24-7
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

: 100-61-8
N-methylaniline

: 6-Chlor-2-<(N-methyl)-phenylamino>methyl-4-phenyl-chinazolin-3-oxid

Conditions

Conditions	Yield
In methanol for 72h; Ambient temperature;	76%

: 5958-24-7
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

: 62-53-3
aniline

: 27424-13-1
6-Chlor-4-phenyl-2-(phenylamino)methyl-chinazolin-3-oxid

Conditions

Conditions	Yield
In methanol for 72h; Ambient temperature;	65%

: 2038-03-1
4-(2-AMINOETHYL)MORPHOLINE

: 5958-24-7
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

: (7-chloro-4-oxy-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-(2-morpholin-4-yl-ethyl)-amine

: 123-00-2
4-(3-Aminopropyl)morpholine

: 5958-24-7
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

: (7-chloro-4-oxy-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-(3-morpholin-4-yl-propyl)-amine

: 5958-24-7
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

: 15952-20-2
6-chloro-2-phenylbenzo[d]oxazole

Conditions

Conditions	Yield
In benzene Irradiation;

: 5958-24-7
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

: 30739-32-3
8-chloro-6-phenyl-1H-benzo[d][1,2,6]oxadiazocin-2-one oxime

Conditions

Conditions	Yield
With potassium chloride; hydroxylamine hydrochloride In ethanol

Cmpcqo Specification

The Cmpcqo, with the CAS registry number of 5958-24-7, is also known as 6-Chloro-2-(chloromethyl)-3-oxido-4-phenyl-quinazoline. This chemical's molecular formula is C₁₅H₁₀Cl₂N₂O and molecular weight is 305.1587. What's more, its IUPAC name is 6-Chloro-2-(chloromethyl)-3-oxido-4-phenylquinazolin-3-ium.

Physical properties about Cmpcqo are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.54; (6)ACD/BCF (pH 7.4): 9.54; (7)ACD/KOC (pH 5.5): 174.86; (8)ACD/KOC (pH 7.4): 174.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 81.08 cm³; (15)Molar Volume: 219.9 cm³; (16)Surface Tension: 50.4 dyne/cm; (17)Density: 1.38 g/cm³; (18)Flash Point: 253.5 °C; (19)Enthalpy of Vaporization: 73.42 kJ/mol; (20)Boiling Point: 495.6 °C at 760 mmHg; (21)Vapour Pressure: 1.77E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc2nc([n+]([O-])c(c2c1)c3ccccc3)CCl
(2) InChI: InChI=1/C15H10Cl2N2O/c16-9-14-18-13-7-6-11(17)8-12(13)15(19(14)20)10-4-2-1-3-5-10/h1-8H,9H2
(3) InChIKey: KFDNKXWSTFABQT-UHFFFAOYAZ

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