4,7-Dichloro-6-nitroquinazoline supplier

Name
4,7-Dichloro-6-nitroquinazoline
EINECS
CAS No. 162012-71-7
Article Data24
CAS DataBase
Density 1.674 g/cm³
Solubility
Melting Point
Formula C₈H₃Cl₂N₃O₂
Boiling Point 411.039 °C at 760 mmHg
Molecular Weight 244.037
Flash Point 202.389 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,7-Dichloro-6-nitroquinazoline
PSA 71.60000
LogP 3.36800

Synthetic route

: 53449-14-2
7-chloro-6-nitro-4(3H)-quinazolinone

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide for 1h; Heating;	99%
With thionyl chloride In N,N-dimethyl-formamide for 24h; Reflux;	95%
With trichlorophosphate at 90℃;

: 31374-18-2
7-chloro-3,4-dihydroquinazolin-4-one

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HNO3; H2SO4 / 80 °C 2: POCl3 / 90 °C View Scheme
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 50 - 90 °C 2: phosphorus pentachloride / 3 h / 160 °C View Scheme
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 1 h / 90 °C 2: trichlorophosphate / 2 h / 90 °C View Scheme
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 1 h / 90 °C / Cooling with ice 2: triethylamine; trichlorophosphate / acetonitrile / 80 °C View Scheme
Multi-step reaction with 2 steps 1: nitric acid; sulfuric acid / 20 - 45 °C 2: thionyl chloride / N,N-dimethyl-formamide / 2 h / Reflux View Scheme

: 5900-59-4
2-amino-4-chlorobenzamide

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 12 N HCl 2: HNO3; H2SO4 / 80 °C 3: POCl3 / 90 °C View Scheme

: 53449-14-2
7-Chloro-6-nitro-quinazolin-4-one

: 10026-13-8, 874483-75-7
phosphorus pentachloride

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

Conditions

Conditions	Yield
With trichlorophosphate
With trichlorophosphate

: 89-77-0
2-Amino-4-chlorobenzoic acid

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 2 h / Reflux 2: sulfuric acid; nitric acid / 50 - 90 °C 3: phosphorus pentachloride / 3 h / 160 °C View Scheme
Multi-step reaction with 3 steps 1: water / Microwave irradiation 2: sulfuric acid; nitric acid / 1 h / 90 °C / Cooling with ice 3: triethylamine; trichlorophosphate / acetonitrile / 80 °C View Scheme
Multi-step reaction with 3 steps 1: 2-methoxy-ethanol / 16 h / 120 °C 2: nitric acid; sulfuric acid / 20 - 45 °C 3: thionyl chloride / N,N-dimethyl-formamide / 2 h / Reflux View Scheme

: 7-chloroquinazolin-4-ol hydrochloride

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium nitrate; sulfuric acid / 5 h / 0 - 100 °C 2: thionyl chloride; N,N-dimethyl-formamide / 24 h / Reflux View Scheme

: 7-chloro-6-nitroquinazolin-4-ol

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide for 24h; Reflux;

: 591-19-5
3-bromoaniline

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 171745-11-2
(3-Bromo-phenyl)-(7-chloro-6-nitro-quinazolin-4-yl)-amine

Conditions

Conditions	Yield
With hydrogenchloride In isopropyl alcohol for 0.5h; Heating;	91%

ethereal hydrogen chloride: ethereal hydrogen chloride

: 57946-56-2
2-fluoro-4-chloroaniline

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 205194-09-8
7-chloro-4-(4-chloro-2-fluoroanilino)-6-nitroquinazoline hydrochloride

Conditions

Conditions	Yield
In isopropyl alcohol	90%

...Expand

: 367-21-5
3-chloro-4-fluorophenylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 179552-73-9
4-((3-chloro-4-fluorophenyl)amino)-6-nitro-7-chloroquinazoline

Conditions

Conditions	Yield
In isopropyl alcohol for 12h; Reflux;	90%
In 1,4-dioxane at 90℃; for 3h;
In 1,4-dioxane	13 g

: 3690-46-8
5-(3-pyridinyl)-1,3,4-oxadiazol-2-thiol

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1418149-56-0
7-chloro-6-nitro-4-[(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)sulfanyl]quinazoline

Conditions

Conditions	Yield
With potassium carbonate In isopropyl alcohol for 7h; Reflux;	66.7%

: 108-44-1
1-amino-3-methylbenzene

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 161830-29-1
6-nitro-7-chloro-4-(3-methylanilino)quinazoline

Conditions

Conditions	Yield
In isopropyl alcohol for 2h; Reflux;	54.7%

: 156-41-2
4-chlorophenylethylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 333400-90-1
7-chloro-4-[2-(4-chlorophenyl)ethylamino]-6-nitroquinazoline

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol
With triethylamine In isopropyl alcohol at 20℃;	1.34 g

: 6850-57-3
2-methoxybenzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1028270-66-7
(7-chloro-6-nitro-quinazolin-4-yl)-(2-methoxy-benzyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 18638-99-8
3,4,5-trimethoxybenzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: (7-chloro-6-nitro-quinazolin-4-yl)-(3,4,5-trimethoxy-benzyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 2620-50-0
1,3-benzodioxol-5-ylmethyl amine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1025839-56-8
benzo[1,3]dioxol-5-ylmethyl-(7-chloro-6-nitro-quinazolin-4-yl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 100-82-3
(3-fluorophenyl)methanamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1027151-59-2
(7-chloro-6-nitro-quinazolin-4-yl)-(3-fluoro-benzyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 5071-96-5
3-METHOXYBENZYLAMINE

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1026379-83-8
(7-chloro-6-nitro-quinazolin-4-yl)-(3-methoxy-benzyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 78498-59-6
3-<-3,4-(methylenedioxy)phenyl>-1-aminopropane

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: (3-benzo[1,3]dioxol-5-yl-propyl)-(7-chloro-6-nitro-quinazolin-4-yl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: C-(7-methoxy-benzo[1,3]dioxol-5-yl)-methylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1026879-07-1
(7-chloro-6-nitro-quinazolin-4-yl)-(7-methoxy-benzo[1,3]dioxol-5-ylmethyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 10406-25-4
4-aminobenzyl cyanide

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 4-[(7-chloro-6-nitro-quinazolin-4-ylamino)-methyl]-benzonitrile

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 7409-30-5
p-nitrobenzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1027300-44-2
(7-chloro-6-nitro-quinazolin-4-yl)-(4-nitro-benzyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 3300-51-4
p-Trifluoromethylbenzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1026611-70-0
(7-chloro-6-nitro-quinazolin-4-yl)-(4-trifluoromethyl-benzyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 25412-53-7
4-(acetamido)benzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1027158-05-9
N-{4-[(7-chloro-6-nitro-quinazolin-4-ylamino)-methyl]-phenyl}-acetamide

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 72235-52-0
2,4-Difluoro-benzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1027896-08-7
(7-chloro-6-nitro-quinazolin-4-yl)-(2,4-difluoro-benzyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 1484-85-1
3,4-methylenedioxyphenylethylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1027730-32-0
(2-benzo[1,3]dioxol-5-yl-ethyl)-(7-chloro-6-nitro-quinazolin-4-yl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 14268-66-7
benzo[1,3]dioxolo-5-ylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1027303-17-8
benzo[1,3]dioxol-5-yl-(7-chloro-6-nitro-quinazolin-4-yl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 104-86-9
4-chlorobenzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1028291-50-0
(4-chloro-benzyl)-(7-chloro-6-nitro-quinazolin-4-yl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 89-99-6
2-fluorobenzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1026552-32-8
(7-chloro-6-nitro-quinazolin-4-yl)-(2-fluoro-benzyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 2393-23-9
4-methoxy-benzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: (7-chloro-6-nitro-quinazolin-4-yl)-(4-methoxy-benzyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 5763-61-1
3,4-dimethoxybenzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1027497-44-4
(7-chloro-6-nitro-quinazolin-4-yl)-(3,4-dimethoxy-benzyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 140-75-0
para-fluorobenzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1026154-92-6
(7-chloro-6-nitro-quinazolin-4-yl)-(4-fluoro-benzyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 72235-53-1
3,4-difluorobenzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: (7-chloro-6-nitro-quinazolin-4-yl)-(3,4-difluoro-benzyl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

: 100-46-9
benzylamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 168761-38-4
7-chloro-4-(benzylamino)-6-nitroquinazoline

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;	269 mg

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: [(6-chloro-1,3-benzodioxol-5-yl)methyl]amine

: 1026941-78-5
(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-(7-chloro-6-nitro-quinazolin-4-yl)-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 20℃;

4,7-Dichloro-6-nitroquinazoline Specification

The 4, 7-Dichloro-6-nitroquinazoline has CAS registry number 162012-71-7. This chemical's molecular formula is C₈H₃Cl₂N₃O₂ and molecular weight is 244.03. What's more, its systematic name is 4, 7-Dichloro-6-nitroquinazoline.

Physical properties about 4, 7-Dichloro-6-nitroquinazoline are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 285; (8)ACD/KOC (pH 7.4): 285; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å²; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 56.614 cm³; (15)Molar Volume: 145.74 cm³; (16)Polarizability: 22.443×10^-24 cm³; (17)Surface Tension: 73.428 dyne/cm; (18)Density: 1.674 g/cm³; (19)Flash Point: 202.389 °C; (20)Enthalpy of Vaporization: 63.768 kJ/mol; (21)Boiling Point: 411.039 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2cc1c(ncnc1Cl)cc2Cl
(2) InChI: InChI=1/C8H3Cl2N3O2/c9-5-2-6-4(1-7(5)13(14)15)8(10)12-3-11-6/h1-3H
(3) InChIKey: VHFFODQAQLNACY-UHFFFAOYAU

Product Name

4,7-Dichloro-6-nitroquinazoline

Synthetic route

4,7-Dichloro-6-nitroquinazoline Specification

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