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| CAS No.: | 21732-17-2 |
|---|---|
| Name: | 1H-Tetrazole-1-acetic acid |
| Article Data: | 22 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H4N4O2 |
| Molecular Weight: | 128.09 |
| Synonyms: | 1-Tetrazoleaceticacid;1-Tetrazolylacetic acid;1H-Tetrazol-1-ylacetic acid;2-(1H-1,2,3,4-Tetrazol-1-yl)acetic acid;2-(1H-Tetrazol-1-yl)acetic acid;2-(Tetrazol-1-yl)acetic acid; |
| EINECS: | 244-551-7 |
| Density: | 1.78 g/cm3 |
| Melting Point: | 127-129 °C |
| Boiling Point: | 381.1 °C at 760 mmHg |
| Flash Point: | 184.3 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38-2 |
| Safety: | 26-36/37/39-60-37-36 |
| PSA: | 80.90000 |
| LogP: | -1.24230 |
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Chemistry
Molecule structure of 1H-Tetrazole-1-acetic acid (CAS NO.21732-17-2):
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IUPAC Name: 2-(Tetrazol-1-yl)acetic acid
Molecular Weight: 128.08946 g/mol
Molecular Formula: C3H4N4O2
Density: 1.78 g/cm3
Melting Point: 127-129 °C
Boiling Point: 381.1 °C at 760 mmHg
Flash Point: 184.3 °C
Index of Refraction: 1.732
Molar Refractivity: 28.63 cm3
Molar Volume: 71.5 cm3
Surface Tension: 89.4 dyne/cm
Enthalpy of Vaporization: 66.39 kJ/mol
Vapour Pressure: 1.73E-06 mmHg at 25 °C
XLogP3-AA: -0.7
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Exact Mass: 128.033425
MonoIsotopic Mass: 128.033425
Topological Polar Surface Area: 80.9
Heavy Atom Count: 9
Canonical SMILES: C1=NN=NN1CC(=O)O
InChI: InChI=1S/C3H4N4O2/c8-3(9)1-7-2-4-5-6-7/h2H,1H2,(H,8,9)
InChIKey: GRWAIJBHBCCLGS-UHFFFAOYSA-N
EINECS: 244-551-7
Product Categories: Miscellaneous;Organic acids
Uses
1H-Tetrazole-1-acetic acid (CAS NO.21732-17-2) is used for the production of antibiotic drugs Vanguard ADM.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38-2
R36/37/38:Irritating to eyes, respiratory system and skin.
R2:Risk of explosion by shock, friction, fire or other source of ignition.
Safety Statements: 26-36/37/39-60-37-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S60:This material and its container must be disposed of as hazardous waste.
S37:Wear suitable gloves.
S36:Wear suitable protective clothing.
RIDADR: 407
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
1H-Tetrazole-1-acetic acid (CAS NO.21732-17-2) is also named as 1H-Tetrazol-1-acetic acid ; Tetrazol-1-acetic acid ; Tetrazol-1-acetic acid [UN0407] [Explosive 1.4C] ; UN0407 . 1H-Tetrazole-1-acetic acid (CAS NO.21732-17-2) is white crystal.