CAS No.76186-72-6,4,7-dibroMo-5,6-dinitrobenzo[c][1,2,5]thiadiazole Suppliers

Products Categories

Pharmaceutical (30)
Organic Chemicals (11)
Others (8)
Materials (6)
Reagent (1)
(1)

Basic Information

Molecular Structure:
CAS No.:	76186-72-6
Name:	4,7-dibroMo-5,6-dinitrobenzo[c][1,2,5]thiadiazole
Article Data:	52

Formula:	C₆Br₂N₄O₄S
Molecular Weight:	383.964
Synonyms:	4,7-Dibromo-5,6-dinitro-benzo[1,2,5]thiadiazole;4,7-dibromo-5,6-dinitrobenzo[c][1,2,5]thiadiazole;4,7-dibromo-5,6-dinitro-2,1,3-benzothiadiazole;4,7-dibromo-5,6-dinitrobenzo[2,1,3]thiadiazole;4,7-dibromo-5,6-dinitro-2,1,3-benthiadiazole;4,7-dibromo-5,6-dinitrobenzo[c]-[1,2,5]thiadiazole;4,7-dibromo-5,6-dinitrobenzothiadiazole;4,7-dibromo-5,6-dinitrobenzo[1,2,5]thiadiazole;
Density:	2.469 g/cm³
Melting Point:	198 °C(Solv: ethanol (64-17-5))
Boiling Point:	418.338 °C at 760 mmHg
Flash Point:	206.804 °C
PSA:	145.66000
LogP:	4.07910

Synthetic route

: 15155-41-6
4,7-dibromobenzo[c][1,2,5]thiadiazole

: 76186-72-6
4,7-dibromo-5,6-dinitrobenzo[2,1,3]thiadiazole

Conditions

Conditions	Yield
With sulfuric acid; nitric acid In toluene at 20℃; for 20h;	95%
With trifluorormethanesulfonic acid; nitric acid at 5 - 50℃;	94%
With trifluorormethanesulfonic acid; nitric acid	89%

: 273-13-2, 22706-22-5
benzo[1,2,5]thiadiazole

: 76186-72-6
4,7-dibromo-5,6-dinitrobenzo[2,1,3]thiadiazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. HBr; Br2 / 130 °C 2: CF3CO2H; HNO3 / CH2Cl2 View Scheme
Multi-step reaction with 2 steps 1: hydrogen bromide; bromine 2: trifluorormethanesulfonic acid; nitric acid View Scheme
Multi-step reaction with 2 steps 1: hydrogen bromide; bromine / water 2: nitric acid; sulfuric acid View Scheme

: 95-54-5
1,2-diamino-benzene

: 76186-72-6
4,7-dibromo-5,6-dinitrobenzo[2,1,3]thiadiazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride; triethylamine / dichloromethane 2: hydrogen bromide; bromine / water 3: sulfuric acid; nitric acid View Scheme
Multi-step reaction with 3 steps 1: triethylamine; thionyl chloride / dichloromethane / Reflux 2: bromine; hydrogen bromide / water / 6 h / 100 °C 3: nitric acid; sulfuric acid / 0 - 20 °C View Scheme
Multi-step reaction with 3 steps 1: thionyl chloride; triethylamine / dichloromethane / 20 h / Reflux 2: hydrogen bromide; bromine / 6 h / Reflux 3: nitric acid; trifluorormethanesulfonic acid / 24 h / 0 °C / Heating View Scheme
Multi-step reaction with 3 steps 1: triethylamine; thionyl chloride / dichloromethane / 20 h / Reflux 2: hydrogen bromide; bromine / 6 h / Reflux 3: nitric acid; trifluorormethanesulfonic acid / 0 - 50 °C View Scheme
Multi-step reaction with 3 steps 1: thionyl chloride; triethylamine / dichloromethane / 4 h / Reflux 2: bromine; hydrogen bromide / 6 h / Reflux 3: sulfuric acid; nitric acid / 8 h / 60 °C View Scheme

: 504441-11-6
tributyl-(4-octyl-thiophen-2-yl)-stannane

: 76186-72-6
4,7-dibromo-5,6-dinitrobenzo[2,1,3]thiadiazole

: 1361452-97-2
4,7-bis-(4-octylthiophen-2-yl)-5,6-dinitro-2,1,3-benzothiadiazole

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran for 20h; Stille coupling; Inert atmosphere; Reflux;	98%

: 115933-42-1
tributyl(4-(tert-butyl)phenyl)stannane

: 76186-72-6
4,7-dibromo-5,6-dinitrobenzo[2,1,3]thiadiazole

: 1394135-00-2
C26H26N4O4S

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran for 19h; Stille Cross Coupling; Inert atmosphere; Reflux;	98%

: 54663-78-4
tributyl(thien-2-yl)stannane

: 76186-72-6
4,7-dibromo-5,6-dinitrobenzo[2,1,3]thiadiazole

: 165190-73-8
5,6-dinitro-4,7-di(thiophen-2-yl)benzo[c][1,2,5]thiadiazole

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); tris-(o-tolyl)phosphine In tetrahydrofuran Stille coupling;	96%
With tris-(dibenzylideneacetone)dipalladium(0); trifuran-2-yl-phosphane; sulfuric acid In tetrahydrofuran; water at 25℃; for 2h; Reflux; Inert atmosphere;	91%
With tris-(dibenzylideneacetone)dipalladium(0); sulfuric acid; tris-(o-tolyl)phosphine In tetrahydrofuran at 25℃; for 2h; Reflux; Inert atmosphere;	91%

: 76186-72-6
4,7-dibromo-5,6-dinitrobenzo[2,1,3]thiadiazole

: 98-80-6
phenylboronic acid

: 165617-57-2
5,6-dinitro-4,7-diphenylbenzo[c][1,2,5]thiadiazole

Conditions

Conditions	Yield
With caesium carbonate In toluene at 90℃;	96%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In toluene for 15h; Inert atmosphere; Reflux;	81%
With caesium carbonate In water; toluene at 90℃; Inert atmosphere;
With caesium carbonate In water; toluene at 90℃; Inert atmosphere;	6 g

: 76186-72-6
4,7-dibromo-5,6-dinitrobenzo[2,1,3]thiadiazole

: 175922-79-9
tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-stannane

: 1003593-63-2
4,7-bis(2,3-dihydrothieno[3,4-b]dioxin-5-yl)-5,6-dinitrobenzo[c][1,2,5]thiadiazole

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride In toluene for 12h; Inert atmosphere; Reflux;	96%
With bis-triphenylphosphine-palladium(II) chloride In toluene for 12h; Inert atmosphere; Reflux;

: 76186-72-6
4,7-dibromo-5,6-dinitrobenzo[2,1,3]thiadiazole

: 159641-97-1
1-trimethylstannyl-2-triisopropylsilylethyne

: 5,6-dinitro-4,7-bis[2-[tris(1-methylethyl)silyl]ethynyl]-2,1,3-benzothiadiazole

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran at 80℃; for 16h; Stille Cross Coupling; Inert atmosphere;	93%
With bis-triphenylphosphine-palladium(II) chloride In toluene Stille Cross Coupling;	92%
With bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran for 16h; Reflux;	92%
With bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran for 16h; Inert atmosphere; Schlenk technique; Reflux;	76%

: 960-16-7
tributylphenylstannane

: 76186-72-6
4,7-dibromo-5,6-dinitrobenzo[2,1,3]thiadiazole

: 165617-57-2
5,6-dinitro-4,7-diphenylbenzo[c][1,2,5]thiadiazole

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran Stille Cross Coupling; Reflux;	92%
With tetrakis(triphenylphosphine) palladium(0) In toluene Stille Cross Coupling; Reflux; Inert atmosphere;	70%

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:51 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 76186-72-6

Specification

The CAS registry number of 2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-dinitro- is 76186-72-6. This chemical's molecular formula is C₆Br₂N₄O₄S and molecular weight is 383.96. What's more, its systematic name is called 4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole.

Physical properties about 2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-dinitro- are: (1)ACD/LogP: 3.183; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 154.52; (6)ACD/BCF (pH 7.4): 154.52; (7)ACD/KOC (pH 5.5): 1283.74; (8)ACD/KOC (pH 7.4): 1283.74; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 145.66 Å²; (13)Index of Refraction: 1.811; (14)Molar Refractivity: 67.134 cm³; (15)Molar Volume: 155.529 cm³; (16)Polarizability: 26.614×10^-24cm³; (17)Surface Tension: 102.208 dyne/cm; (18)Density: 2.469 g/cm³; (19)Flash Point: 206.804 °C; (20)Enthalpy of Vaporization: 64.581 kJ/mol; (21)Boiling Point: 418.338 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c12c(c(c(c(c1Br)[N+](=O)[O-])[N+](=O)[O-])Br)nsn2
(2) InChI: InChI=1S/C6Br2N4O4S/c7-1-3-4(10-17-9-3)2(8)6(12(15)16)5(1)11(13)14
(3) InChIKey: XEVOZPRNEPMHAF-UHFFFAOYSA-N