CAS No.37159-60-7,3-BROMO-5-CHLORO-1,2,4-THIADIAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37159-60-7
Name:	3-BROMO-5-CHLORO-1,2,4-THIADIAZOLE
Article Data:	2

Formula:	C₂BrClN₂S
Molecular Weight:	199.458
Synonyms:	3-Bromo-5-chloro-1,2,4-thiadiazole;3-bromo-5-chloro-1,2,4-thiadiazole;3-bromo-5-chloro-1,2,4-thiadiazole;
Density:	2.133 g/cm³
Melting Point:	24-25 °C
Boiling Point:	270.128 °C at 760 mmHg
Flash Point:	117.17 °C
Appearance:	clear colorless to yellow liquid
Hazard Symbols:	Xn
Risk Codes:	36/37/38-20/21/22
Safety:	36/37/39-26
PSA:	54.02000
LogP:	1.95400

Synthetic route

: 26542-78-9
3,3'-dibromo-5,5'-disulfanediyl-bis-[1,2,4]thiadiazole

: 37159-60-7
3-bromo-5-chloro-[1,2,4]thiadiazole

Conditions

Conditions	Yield
With chlorine In acetic acid

: 37159-60-7
3-bromo-5-chloro-[1,2,4]thiadiazole

: N-(2,4-dimethoxybenzyl)-1-isopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine

: 3-(3-bromo-1,2,4-thiadiazol-5-yl)-N-(2.4-dimethoxybenzyl)-1-isopropyl-1H-pyrazolo[4,3-c]pyridin-4-amine

Conditions

Conditions	Yield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 90℃; for 3h; Sealed tube;	97%

: 37159-60-7
3-bromo-5-chloro-[1,2,4]thiadiazole

: (4-benzyl-6-methyl-pyrimidin-2-yl)-piperidin-4-yl-amine hydrochloride

: 1329669-67-1
(4-Benzyl-6-methyl-pyrimidin-2-yl)-[1-(3-bromo-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-amine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 95℃; for 4.5h;	96%

: 37159-60-7
3-bromo-5-chloro-[1,2,4]thiadiazole

: 1329673-47-3
(4-benzyl-6-methyl-pyrimidin-2-yl)-piperidin-4-yl-amine hydrochloride

: 1329669-67-1
(4-Benzyl-6-methyl-pyrimidin-2-yl)-[1-(3-bromo-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-amine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 95℃; for 4.5h;	96%

: 37159-60-7
3-bromo-5-chloro-[1,2,4]thiadiazole

: 1373522-74-7
1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl)piperidine

: 1373522-75-8
3-bromo-5-(4-(piperidin-1-yl)-3-(trifluoromethyl)phenyl)-1,2,4-thiadiazole

Conditions

Conditions	Yield
With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In water; N,N-dimethyl-formamide at 80℃; for 1h; Suzuki coupling;	94%

: 37159-60-7
3-bromo-5-chloro-[1,2,4]thiadiazole

: 4-(3-(phenylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholine

: 4-(3-(3-bromo-1,2,4-thiadiazol-5-yl)-5-(phenylsulfonyl)phenyl)morpholine

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium fluoride In 1,4-dioxane; water at 80℃;	91%

: 37159-60-7
3-bromo-5-chloro-[1,2,4]thiadiazole

: 1189047-28-6
(2-(9H-carbazol-9-yl)phenyl)boronic acid

: 1567346-70-6
3,5-bis(2-(9H-carbazol-9-yl)phenyl)-1,2,4-thiadiazole

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; toluene at 100℃; for 24h; Suzuki Coupling;	89%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran for 12h; Inert atmosphere; Sonication;	89%

: 37159-60-7
3-bromo-5-chloro-[1,2,4]thiadiazole

: 856167-68-5
2-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

: 1344997-62-1
5-(3-bromo-1,2,4-thiadiazol-5-yl)-2-isobutylbenzonitrile

Conditions

Conditions	Yield
With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In water; N,N-dimethyl-formamide at 80℃; for 1h; Suzuki coupling;	88%
With potassium phosphate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In water; N,N-dimethyl-formamide at 80℃; for 1h; Suzuki Coupling; Inert atmosphere; Microwave irradiation; Sealed vessel;
With potassium phosphate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In water; N,N-dimethyl-formamide at 80℃; for 1h; Inert atmosphere; Sealed; microwave irradiation;

: 37159-60-7
3-bromo-5-chloro-[1,2,4]thiadiazole

: 952514-86-2
1-phenyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-benzo[d]imidazole

: 3,5-bis(3-(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-1,2,4-thiadiazole

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 100℃; for 12h; Suzuki Coupling; Inert atmosphere;	88%

: 37159-60-7
3-bromo-5-chloro-[1,2,4]thiadiazole

: 1373522-76-9
4,4,5,5-tetramethyl-2-(2-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1,3,2-dioxaborolane

: 1373522-77-0
3-bromo-5-(2-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1,2,4-thiadiazole

Conditions

Conditions	Yield
With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In water; N,N-dimethyl-formamide at 80℃; for 1h; Suzuki coupling;	86%

Raw Materials

26542-78-9

Downstream Products

1101173-93-6

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

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Specification

The 1,2,4-Thiadiazole,3-bromo-5-chloro-, with the CAS registry number 37159-60-7, has the systematic name and IUPAC name of 3-bromo-5-chloro-1,2,4-thiadiazole. It is a kind of clear colorless to yellow liquid, and the molecular formula of the chemical is C₂BrClN₂S.

The characteristics of 1,2,4-Thiadiazole,3-bromo-5-chloro- are as followings: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.326; (4)ACD/LogD (pH 7.4): 2.326; (5)ACD/BCF (pH 5.5): 34.519; (6)ACD/BCF (pH 7.4): 34.519; (7)ACD/KOC (pH 5.5): 439.098; (8)ACD/KOC (pH 7.4): 439.098; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 33.405 cm³; (15)Molar Volume: 93.496 cm³; (16)Polarizability: 13.243×10^-24cm³; (17)Surface Tension: 64.629 dyne/cm; (18)Density: 2.133 g/cm³; (19)Flash Point: 117.17 °C; (20)Enthalpy of Vaporization: 48.782 kJ/mol; (21)Boiling Point: 270.128 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1(nc(sn1)Cl)Br
(2)InChI: InChI=1/C2BrClN2S/c3-1-5-2(4)7-6-1
(3)InChIKey: CXUWGEWQRCXJDC-UHFFFAOYAK