1H-1,2,4-Triazole-3-carboxylic acid supplier

Name
1H-1,2,4-Triazole-3-carboxylic acid
EINECS
CAS No. 4928-87-4
Article Data21
CAS DataBase
Density 1.694 g/cm³
Solubility
Melting Point 132-136 °C
Formula C₃H₃N₃O₂
Boiling Point 444.6 °C at 760 mmHg
Molecular Weight 113.076
Flash Point 222.7 °C
Transport Information
Appearance Yellowish crystalline powder
Safety 26-36/37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2,4-Triazole-3-carboxylic acid;4H-1,2,4-Triazole-3-carboxylic acid;NSC165527;NSC 202574;
PSA 78.87000
LogP -0.49710

Synthetic route

: 3641-13-2
5-amino-1H-[1,2,4]triazole-3-carboxylic acid

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

Conditions

Conditions	Yield
With hypophosphorous acid; sodium nitrite In isopropylalcohol; water at 5 - 50℃; for 1.41667h;	95.6%
With hydrogenchloride; hypophosphorous acid; sodium nitrite In isopropylalcohol; water at 5 - 50℃; for 1.41667h;	89.4%
Stage #1: 5-amino-1H-[1,2,4]triazole-3-carboxylic acid With sodium nitrite Sandmeyer Reaction; Stage #2: With methanol Sandmeyer Reaction;	65%
Stage #1: 5-amino-1H-[1,2,4]triazole-3-carboxylic acid With hydrogenchloride; sodium nitrite Diazotization; Stage #2: In methanol Hydrolysis; Heating;	45%

: 274-80-6
[1,2,4]triazolo[4,3-a]pyridine

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

Conditions

Conditions	Yield
With potassium permanganate

1--1.2.4-triazole-carboxylic acid-(3): 1--1.2.4-triazole-carboxylic acid-(3)

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

Conditions

Conditions	Yield
With alkaline permanganate

3-methyl-1.2.4-triazole: 3-methyl-1.2.4-triazole

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

Conditions

Conditions	Yield
With alkaline permanganate

: 387362-37-0
4-phenyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; water for 5h; Reflux;

: 1260230-04-3
4-(4-methoxyphenyl)-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; water for 5h; Reflux;

: 1260230-06-5
4-(4-bromophenyl)-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; water for 5h; Reflux;

: 1260230-07-6
4-cyclohexyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; water for 5h; Reflux;

: 1260230-09-8
4-butyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; water for 5h; Reflux;

: 1260230-10-1
4-ethyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; water for 5h; Reflux;

: 34550-41-9
1H-1,2,4-triazole-3,5-dicarboxylic acid

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

Conditions

Conditions	Yield
Acidic conditions;

: 67-56-1
methanol

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 4928-88-5
methyl 1H-1,2,4-triazole-3-carboxylate

Conditions

Conditions	Yield
With thionyl chloride at 0 - 65℃; for 3h;	97%
With thionyl chloride at 10 - 20℃;	80%
With hydrogenchloride

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 93919-56-3
4-(trifluoromethoxy)benzyl amine

: N-(4-(trifluoromethoxy)benzyl)-1H-1,2,4-triazole-3-carboxamide

Conditions

Conditions	Yield
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere;	90%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 95-64-7
4-amino-o-xylene

: N-(3,4-dimethylphenyl)-1H-1,2,4-triazole-3-carboxamide

Conditions

Conditions	Yield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; Inert atmosphere;	83%
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃;	75%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 119-62-0, 716-61-0, 2792-51-0, 2792-52-1, 2964-48-9, 3689-55-2, 63526-31-8, 71115-69-0, 140694-64-0
(1R,2R)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol

: N-((1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-1H-1,2,4-triazole-3-carboxamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate In N,N-dimethyl-formamide at 25℃; for 2h; Cooling with ice;	80%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 1361189-49-2
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-hydroxycyclobutanecarboxamidine

: 1361187-29-2
5-(4-{1-[5-(1H-[1,2,4]triazol-3-yl)-[1,2,4]oxadiazol-3-yl]cyclobutyl}phenyl)pyrimidin-2-ylamine

Conditions

Conditions	Yield
Stage #1: 1,2,4-triazole-3-carboxylic acid With 1,1'-carbonyldiimidazole In 1-methyl-pyrrolidin-2-one at 50℃; for 0.333333h; Inert atmosphere; Stage #2: 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-hydroxycyclobutanecarboxamidine In 1-methyl-pyrrolidin-2-one at 100℃; for 4h; Inert atmosphere;	78%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: C12H17N3O5*C2HF3O2

: N-(3-((1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-ylamino)-3-oxopropyl)-1H-1,2,4-triazole-3-carboxamide

Conditions

Conditions	Yield
Stage #1: C12H17N3O5*C2HF3O2 With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.166667h; Stage #2: 1,2,4-triazole-3-carboxylic acid With bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate In N,N-dimethyl-formamide at 0 - 25℃; for 1h;	75%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(piperidin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one

: 1-(1-(1H-1,2,4-triazole-3-carbonyl)piperidin-3-yl)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one

Conditions

Conditions	Yield
Stage #1: 1,2,4-triazole-3-carboxylic acid; 3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(piperidin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 4h; Stage #2: With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃;	73%

Yield

Stage #1: 1,2,4-triazole-3-carboxylic acid; 3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(piperidin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 4h;
Stage #2: With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃;

73%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 51336-94-8
2-chloro-1-(2,4-dichlorophenyl)ethanone

: 913237-92-0
1-[2-(2,4-difluoro-phenyl)-2-oxo-ethyl]-1H-[1,2,4]triazole-3-carboxylic acid

Conditions

Conditions	Yield
With triethylamine	72%

: 913237-84-0
2-chloro-1-(2-fluoro-4-methyl-phenyl)-ethanone

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 913237-93-1
1-[2-(2-fluoro-4-methyl-phenyl)-2-oxo-ethyl]-1H-[1,2,4]triazole-3-carboxylic acid

Conditions

Conditions	Yield
With triethylamine	69%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 2632-10-2
2-bromo-1-(3,4-dichlorophenyl)ethanone

: 913237-88-4
1-[2-(3,4-dichloro-phenyl)-2-oxo-ethyl]-1H-[1,2,4]triazole-3-carboxylic acid

Conditions

Conditions	Yield
With triethylamine	68%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: chloroanhydride of 1H-1,2,4-triazole-3-carboxylic acid hydrochloride

Conditions

Conditions	Yield
With thionyl chloride for 4h; Reflux;	68%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 712-76-5
N-(4-phenyl)benzylamine

: N-[(1,1'-biphenyl)-4-ylmethyl]-1H-1,2,4-triazole-3-carboxamide

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; 6-chloro-1-hydroxybenzotriazole In dichloromethane; N,N-dimethyl-formamide at 20℃; for 12h; Inert atmosphere;	68%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 64-17-5
ethanol

: 1H-1,2,4-triazole-3-carbocyclic acid ethyl ester hydrochloride

Conditions

Conditions	Yield
Stage #1: 1,2,4-triazole-3-carboxylic acid; ethanol With thionyl chloride at 5 - 70℃; for 4h; Stage #2: With hydrogenchloride	63.7%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 2632-13-5
2-Bromo-4'-methoxyacetophenone

: 1-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-1H-[1,2,4]triazole-3-carboxylic acid

Conditions

Conditions	Yield
With triethylamine	63%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: lead(II) nitrate

: 7681-11-0
potassium iodide

: 1429689-06-4
catena-(1H-1,2,4-triazole-3-carboxyliate)(μ2-iodo)lead(II)

Conditions

Conditions	Yield
In water at 60℃; for 240h;	63%

...Expand

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: C33H27N5O

: 1-[4-(8-(1H-1,2,4-triazole-3-carbonyl)-8-azabicyclo-[3.2.1]-oct-3-en-3-yl)phenyl]-3-methyl-8-(quinolin-3-yl)-1H-imidazo-[4,5-c]-quinolin-2-(3H)-one

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 12h;	60%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 6298-96-0, 22038-86-4, 35600-82-9, 41851-59-6
(R)-1-(4-methoxyphenyl)ethylamine

: (R)-N-(1-(4-methoxyphenyl)ethyl)-1H-1,2,4-triazole-3-carboxamide

Conditions

Conditions	Yield
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere;	58%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 7732-18-5
water

: lead(II) chloride

: [Pb(3-carboxylic acid-4H-1,2,4-triazole(-H))(μ2-Cl)(H2O)](n)

Conditions

Conditions	Yield
In water High Pressure; mixt. of PbCl2, org. ligand and H2O placed in Teflon-lined steel vessel and heated to 140 °C for 3 d; washing (water, diethyl ether), elem. anal.;	57%

...Expand

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: lead(II) nitrate

: potassium chloride

: [Pb(3-carboxylic acid-4H-1,2,4-triazole(-H))(μ2-Cl)(H2O)](n)

Conditions

Conditions	Yield
at 60℃; for 168h;	57%

...Expand

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 1-(2-tert-butylphenyl)piperazine dihydrochloride

: 1252656-17-9
1-(2-tert-Butylphenyl)-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine

Conditions

Conditions	Yield
Stage #1: 1,2,4-triazole-3-carboxylic acid; 1-(2-tert-butylphenyl)piperazine dihydrochloride With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #2: With sodium hydrogencarbonate In ethyl acetate	56%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: C31H27N5O

: 1-(4-(1-(4H-1,2,4-triazol-3-carbonyl)piperidin-4-yl)phenyl)-3-methyl-8-(quinolin-3-yl)-1H-imidazo[4,5-c]quinolin-2-(3H)-one

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 12h;	55.6%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: C31H27N5O

: 1-(4-(1-(1H-1,2,4-triazol-3-carbonyl)-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-3-methyl-8-(quinolin-3-yl)-1H-imidazo[4,5-c]quinolin-2-(3H)-one

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 12h;	55.5%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 100-46-9
benzylamine

: 1,2,4-triazole-3-benzamide

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine In acetonitrile at 20℃; for 2h; Acylation;	55%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: lead(II) nitrate

: 1338359-40-2
[Pb(1H-1,2,4-triazole-3-carboxylate)(μ2-Br)(H2O)]n

Conditions

Conditions	Yield
With potassium bromide at 60℃; for 72h;	54%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: lead(II) nitrate

: 7558-02-3
potassium bromide

: 1338359-40-2
[Pb(1H-1,2,4-triazole-3-carboxylate)(μ2-Br)(H2O)]n

Conditions

Conditions	Yield
at 60℃; for 168h;	54%

...Expand

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: manganese(II) chloride tetrahydrate

: 7732-18-5
water

: [Mn(1H-1,2,4-triazole-3-carboxylate)2(H2O)2]

Conditions

Conditions	Yield
With 1,3-bis(1,2,4-triazol-1-yl)propane at 20℃; for 6h;	52.2%

...Expand

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: (3aR,5R,6aS)-5-(2-(trifluoromethyl)phenyl)octahydrocyclopenta[c]pyrrole hydrochloride

: (1H-1,2,4-triazol-3-yl)((3aR,5R,6aS)-5-(2-(trifluoromethyl)phenyl)hexahydrocyclopenta[c]pyrrole-2(1H)-yl)methanone

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide at 20℃;	52%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: (3aR,6aS)-5-(2-(trifluoromethyl)phenyl)octahydrocyclopenta[c]pyrrole hydrochloride

: 3-{[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]octahydrocyclopenta[c]pyrrol-2-yl]carbonyl}-1H-1,2,4-triazole

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide at 20℃;	52%

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: manganese(II) chloride tetrahydrate

: 7732-18-5
water

: [Mn(1H-1,2,4-triazole-3-carboxylate)2(H2O)2]

Conditions

Conditions	Yield
With potassium hydroxide at 60℃; for 240h;	51.3%

...Expand

1H-1,2,4-Triazole-3-carboxylic acid Chemical Properties

IUPAC Name: 1H-1,2,4-Triazole-5-carboxylic acid
Following is the structure of 1H-1,2,4-Triazole-3-carboxylic acid (CAS NO.4928-87-4):

Empirical Formula: C₃H₃N₃O₂
Molecular Weight: 113.0748 g/mol
Molar Refractivity: 23.79 cm³
Molar Volume: 66.7 cm³
Density: 1.694 g/cm³
Flash Point: 222.7 °C
Melting point: 132-136 °C
Index of Refraction: 1.631
Surface Tension: 112.4 dyne/cm
Enthalpy of Vaporization: 74.04 kJ/mol
Boiling Point: 444.6 °C at 760 mmHg
Vapour Pressure of 1H-1,2,4-Triazole-3-carboxylic acid (CAS NO.4928-87-4): 1.09E-08 mmHg at 25 °C
Product Categories of 1H-1,2,4-Triazole-3-carboxylic acid (CAS NO.4928-87-4): Carboxylic Acids; Pyrazoles & Triazoles; Carboxylic Acids; Pyrazoles & Triazoles; Building Blocks; Heterocyclic Building Blocks; Triazoles
Canonical SMILES: C1=NNC(=N1)C(=O)O
InChI: InChI=1S/C3H3N3O2/c7-3(8)2-4-1-5-6-2/h1H,(H,7,8)(H,4,5,6)
InChIKey: LJVQHXICFCZRJN-UHFFFAOYSA-N

1H-1,2,4-Triazole-3-carboxylic acid Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3
HazardClass: IRRITANT

1H-1,2,4-Triazole-3-carboxylic acid Specification

1H-1,2,4-Triazole-3-carboxylic acid , its cas register number is 4928-87-4. It also can be called 1H-1,2,4-triazole-5-carboxylic acid ; and 4H-1,2,4-Triazole-3-carboxylic acid .

Product Name

1H-1,2,4-Triazole-3-carboxylic acid

Synthetic route

1H-1,2,4-Triazole-3-carboxylic acid Chemical Properties

1H-1,2,4-Triazole-3-carboxylic acid Safety Profile

1H-1,2,4-Triazole-3-carboxylic acid Specification

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