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| CAS No.: | 4928-87-4 |
|---|---|
| Name: | 1H-1,2,4-Triazole-3-carboxylic acid |
| Article Data: | 21 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H3N3O2 |
| Molecular Weight: | 113.076 |
| Synonyms: | 1,2,4-Triazole-3-carboxylic acid;4H-1,2,4-Triazole-3-carboxylic acid;NSC165527;NSC 202574; |
| Density: | 1.694 g/cm3 |
| Melting Point: | 132-136 °C |
| Boiling Point: | 444.6 °C at 760 mmHg |
| Flash Point: | 222.7 °C |
| Appearance: | Yellowish crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37 |
| PSA: | 78.87000 |
| LogP: | -0.49710 |
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| 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% |
| Conditions | Yield |
|---|---|
| With potassium permanganate |
- 4928-87-4
1,2,4-triazole-3-carboxylic acid
| Conditions | Yield |
|---|---|
| With alkaline permanganate |
- 4928-87-4
1,2,4-triazole-3-carboxylic acid
| 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 | 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 | 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 | 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 | 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 | 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 | Yield |
|---|---|
| With hydrogenchloride; water for 5h; Reflux; |
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Chemistry
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
Safety Profile
Hazard Codes: 
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
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 .