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1H-1,2,3-TRIAZOLE, 4-BROMO-1-METHYL-, also known as 4-Bromo-1-methyl-1H-1,2,3-triazole, is a chemical compound characterized by a molecular formula C4H4BrN3. It is a triazole derivative, featuring a five-membered heterocyclic ring with three nitrogen atoms and two carbon atoms. 1H-1,2,3-TRIAZOLE, 4-BROMO-1-METHYLis recognized for its versatility as a building block in the synthesis of a wide array of organic compounds, including those in pharmaceuticals, agricultural chemicals, and materials science. Its unique structure and properties render it a valuable intermediate in chemical reactions, particularly in the pharmaceutical industry for drug production.

13273-53-5

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Basic information
1. Product Name: 1H-1,2,3-TRIAZOLE, 4-BROMO-1-METHYL-
2. Synonyms: 1H-1,2,3-TRIAZOLE, 4-BROMO-1-METHYL-;4-BROMO-1-METHYL-1H-1,2,3-TRIAZOLE;4-BroMo-1-Methyl-1,2,3-triazole;4-broMo-1-Methyl-1H-1,2,3-triazo;4-BroMo-1-Methyl-1H-1,2,3-triazole, 97%+
3. CAS NO:13273-53-5
4. Molecular Formula: C₃H₄BrN₃
5. Molecular Weight: 161.99
6. EINECS: N/A
7. Product Categories: synthons
8. Mol File: 13273-53-5.mol
Chemical Properties
1. Melting Point: 98.5-99 °C
2. Boiling Point: 227.32 °C at 760 mmHg
3. Flash Point: 91.28 °C
4. Appearance: /
5. Density: 1.934 g/cm³
6. Vapor Pressure: 0.078mmHg at 25°C
7. Refractive Index: 1.669
8. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
9. Solubility: N/A
10. PKA: -1.39±0.10(Predicted)
11. CAS DataBase Reference: 1H-1,2,3-TRIAZOLE, 4-BROMO-1-METHYL-(CAS DataBase Reference)
12. NIST Chemistry Reference: 1H-1,2,3-TRIAZOLE, 4-BROMO-1-METHYL-(13273-53-5)
13. EPA Substance Registry System: 1H-1,2,3-TRIAZOLE, 4-BROMO-1-METHYL-(13273-53-5)
Safety Data
1. Hazard Codes: N/A
2. Statements: N/A
3. Safety Statements: N/A
4. WGK Germany:
5. RTECS:
6. HazardClass: N/A
7. PackingGroup: N/A
8. Hazardous Substances Data: 13273-53-5(Hazardous Substances Data)

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13273-53-5 Usage

Uses

Used in Pharmaceutical Industry:
1H-1,2,3-TRIAZOLE, 4-BROMO-1-METHYLis used as a key intermediate in the synthesis of various pharmaceutical compounds. Its role in drug production is attributed to its ability to facilitate the creation of new molecules with potential therapeutic applications.
Used in Agricultural Chemicals:
In the agricultural sector, 1H-1,2,3-TRIAZOLE, 4-BROMO-1-METHYLserves as a building block for the development of agricultural chemicals. Its incorporation into these products is due to its capacity to enhance the effectiveness of compounds used in crop protection and other agricultural applications.
Used in Materials Science:
1H-1,2,3-TRIAZOLE, 4-BROMO-1-METHYLis also utilized in materials science for the synthesis of novel materials with specific properties. Its unique structure allows for the engineering of materials that can be applied in various high-tech industries.

Check Digit Verification of cas no

The CAS Registry Mumber 13273-53-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,2,7 and 3 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 13273-53:
(7*1)+(6*3)+(5*2)+(4*7)+(3*3)+(2*5)+(1*3)=85
85 % 10 = 5
So 13273-53-5 is a valid CAS Registry Number.

InChI:InChI=1/C3H4BrN3/c1-7-2-3(4)5-6-7/h2H,1H3

13273-53-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name	4-bromo-1-methyl-1h-1,2,3-triazole

1.2 Other means of identification

Product number	-
Other names	4-Bromo-1-methyl-1H-1,2,3-triazole

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:13273-53-5 SDS

13273-53-5Synthetic route

: 25537-64-8
1-methyl-4,5-dibromo-1H-1,2,3-triazole

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

Conditions	Yield
With isopropylmagnesium chloride In tetrahydrofuran at -10℃; Temperature; Reagent/catalyst; Solvent;	90%

: 186581-53-3, 908094-01-9
diazomethane

: 60-29-7
diethyl ether

: 506-68-3
bromocyane

A: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

B: 16681-67-7
4-bromo-2-methyl-2H-1,2,3-triazole

C: 16681-82-6
5-bromo-1-methyl-1H-1,2,3-triazole

D: 590-17-0
cyanomethyl bromide

: 16681-65-5
1-methyl-1,2,3-triazole

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

Conditions	Yield
With tetrachloromethane; bromine
With sodium hypobromide; acetic acid

diazotized 1-methyl-1H-<1,2,3>triazol-4-ylamine: diazotized 1-methyl-1H-<1,2,3>triazol-4-ylamine

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

Conditions	Yield
With water; hydrogen bromide; copper

: 186581-53-3, 908094-01-9
diazomethane

: 506-68-3
bromocyane

A: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

B 4-bromo-2-methyl-2H-<1,2,3>triazole and 5-bromo-1-methyl-1H-<1,2,3>triazole: 4-bromo-2-methyl-2H-<1,2,3>triazole and 5-bromo-1-methyl-1H-<1,2,3>triazole

Conditions	Yield
With diethyl ether

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: tert-butyl 4-({[2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]oxy}methyl)piperidine-1-carboxylate

: tert-butyl 4-({[2-amino-5-(1-methyl-1H-1,2,3-triazol-4-yl)pyridin-3-yl]oxy}methyl)piperidine-1-carboxylate

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In ethanol; toluene at 80℃; for 18h; Inert atmosphere;	97%

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: 126726-62-3
2-isopropenyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

: 1-methyl-4-(prop-1-en-2-yl)-1H-1,2,3-triazole

Conditions	Yield
Stage #1: 4-bromo-1-methyl-1H-1,2,3-triazole; 2-isopropenyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In 1,4-dioxane for 0.0833333h; Suzuki Coupling; Stage #2: With water; sodium carbonate In 1,4-dioxane at 85℃; for 14h;	94%

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: methyl 4-ethyl-3-(N-(2-(piperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfamoyl)benzoate

: methyl 4-ethyl-3-(N-(5-(1-methyl-1,2,3-triazol-4-yl)-2-(piperidin-1-yl)phenyl)sulfamoyl)benzoate

Conditions	Yield
With potassium phosphate; methanesulfonic acid(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II) In 1,4-dioxane; water at 80℃; for 2h; Inert atmosphere;	77%

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: 2-((4-chlorophenethyl)amino)-2-phenyl-1-(6-(4,4,5,5-tetramethyl-1.3.2-dioxaborolan-2-yl)-1H-indol-3-yl)ethan-1-one

: 2-((4-chlorophenethyl)amino)-1-(6-(1-methyl-1H-1,2,3-triazol-4-yl)-1H-indol-3-yl)-2-phenylethan-1-one

Conditions	Yield
With (2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1 ‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl)]palladium(II) methanesulfonate; caesium carbonate In 1,4-dioxane; water at 135℃; for 1h; Suzuki Coupling; Inert atmosphere; Sealed tube; Microwave irradiation;	74%

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: 214360-73-3
4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline

: 5-(1-methyl-1H-1,2,3-triazol-4-yl)pyrazin-2-amine

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In 1,4-dioxane; water at 90℃; for 32h; Inert atmosphere;	73%

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: 1079-66-9
chloro-diphenylphosphine

: 4-(diphenylphosphoryl)-1-methyl-1H-1,2,3-triazole

Conditions	Yield
Stage #1: 4-bromo-1-methyl-1H-1,2,3-triazole With n-butyllithium In hexane; toluene at -78 - 0℃; for 0.25h; Stage #2: chloro-diphenylphosphine In hexane; toluene at 20℃; for 1h;	19%

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: (S)-2-(1-(cyclopropanecarbonyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinolin-5-yloxy)benzonitrile

: (S)-2-(1-(cyclopropanecarbonyl)-2-methyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)-1,2,3,4-tetrahydroquinolin-5-yloxy)benzonitrile

Conditions	Yield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; caesium carbonate In 1,4-dioxane; water at 80℃;	13%

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: 55-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14H-6-oxa-3-aza-2(2,6)-pyridina-1(3,4)-triazola-5(1,2)-benzenacyclodecaphan-4-one

: 55-(1-methyl-1H-1,2,3-triazol-4-yl)-14H-6-oxa-3-aza-2(2,6)-pyridina-1(3,4)-triazola-5(1,2)-benzenacyclodecaphan-4-one

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In water; N,N-dimethyl-formamide at 90℃; for 2h; Inert atmosphere;	7%

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indolin-2-one

: 3,3-dimethyl-1-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(2-methylpyrimidin-5-yl)indolin-2-one

Conditions	Yield
With copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine In acetonitrile at 22 - 170℃; for 0.5h; Inert atmosphere; Microwave irradiation; Sealed tube;	6%

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: 4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

: 4-(cyclohexylamino)-N-methyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)benzenesulfonamide

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate In 1,4-dioxane; water at 100℃; for 16h; Inert atmosphere;	4.8%

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: N-cyclohexyl-4-methylsulfonyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

: N-cyclohexyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(methylsulfonyl)aniline

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate In 1,4-dioxane; water at 100℃; for 16h; Inert atmosphere;	4.2%

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: 59016-93-2
p-hydroxymethylphenylboronic acid

: (4-(1-methyl-1H-1,2,3-triazol-4-yl)phenyl)methanol

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water for 16h; Inert atmosphere; Reflux;	3.4 g

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: (S)-4-(2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-2-fluorobenzamide

: 76-05-1
trifluoroacetic acid

: (S)-4-(2-amino-5-(1-methyl-1H-1,2,3-triazol-4-yl)pyridin-3-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-2-fluorobenzamide trifluoroacetate

Conditions	Yield
Stage #1: 4-bromo-1-methyl-1H-1,2,3-triazole; (S)-4-(2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-2-fluorobenzamide With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate In 1,4-dioxane; 1,2-dimethoxyethane at 20℃; for 5h; Suzuki Coupling; Stage #2: trifluoroacetic acid In water; acetonitrile

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: N-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-3-yl)-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide

: N-(6-(1-methyl-1H-1,2,3-triazol-4-yl)isoquinolin-3-yl)-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide

Conditions	Yield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate In water at 95℃;	0.011 g

: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

: 1663-39-4
tert-Butyl acrylate

: tert-butyl (2E)-3-(1-methyl-1H-1,2,3-triazol-4-yl)prop-2-enoate

Conditions	Yield
With palladium diacetate; triethylamine; tris-(o-tolyl)phosphine In N,N-dimethyl-formamide at 110℃; for 12h;	3.6 g

13273-53-5Upstream product

13273-53-5Downstream Products

13273-53-5Relevant academic research and scientific papers

Preparation method of 1-subtituted-1H-1,2,3-triazole-4-carboxylic acid

-

Paragraph 0041; 0044; 0045; 0046, (2016/10/09)

The invention provides a preparation method of 1-subtituted-1H-1,2,3-triazole-4-carboxylic acid. The preparation method includes the following steps: 1-substituted-4,5-dibromo-1H-1,2,3-triazole is added to an isopropylmagnesium chloride, such that 1-substituted-4-bromo-1H-1,2,3-triazole is obtained through a reaction; an isopropylmagnesium chloride-lithium chloride complex is added directly, such that a mixture of 1-substituted-1H-1,2,3-triazole-4-carboxylic acid and 1-substituted-4-bromo-1H-1,2,3-triazole-5-carboxylic acid is obtained; a base and iodomethane are added to the mixture, such that methyl 1-substituted-4-bromo-1H-1,2,3-triazole-5-carboxylare is obtained through a reaction; the aqueous layer is adjusted with hydrochloric acid until a pH value is 1-5; extraction is carried out with an organic solvent, and drying and concentration crystallization are carried out, such that 1-substituted-1H-1,2,3-triazole-4-carboxylic acid is obtained. The method is suitable for industrial production, and has a great application value.

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