CAS No.162012-71-7,4,7-Dichloro-6-nitroquinazoline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	162012-71-7
Name:	4,7-Dichloro-6-nitroquinazoline
Article Data:	24

Formula:	C₈H₃Cl₂N₃O₂
Molecular Weight:	244.037
Synonyms:	4,7-Dichloro-6-nitroquinazoline
Density:	1.674 g/cm³
Boiling Point:	411.039 °C at 760 mmHg
Flash Point:	202.389 °C
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

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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