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| CAS No.: | 24994-04-5 |
|---|---|
| Name: | 5-(4-Methylphenyl)-1H-tetrazole |
| Article Data: | 144 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H8N4 |
| Molecular Weight: | 160.178 |
| Synonyms: | 1H-Tetrazole,5-(4-methylphenyl)- (9CI);1H-Tetrazole, 5-p-tolyl- (8CI);5-(4-Methylphenyl)-2H-tetrazole;5-(4-Tolyl)-1H-tetrazole;5-p-Tolyltetrazole;NSC141938;p-(Tetrazol-5-yl)toluene;5-p-tolyl-2H-tetrazole; |
| Density: | 1.241 g/cm3 |
| Melting Point: | 250-253 °C(lit.) |
| Boiling Point: | 334.5 °C at 760 mmHg |
| Flash Point: | 159.1 °C |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 54.46000 |
| LogP: | 1.17510 |
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Chemistry
Product Name: 5-(4-Methylphenyl)-1H-tetrazole (CAS NO.24994-04-5)
Molecular Formula: C8H8N4
Molecular Weight: 160.18g/mol
Mol File: 24994-04-5.mol
Melting Point: 250-253 °C(lit.)
Boiling point: 334.5 °C at 760 mmHg
Flash Point: 159.1 °C
Density: 1.241 g/cm3
Index of Refraction: 1.604 Molar Refractivity: 44.37 cm3
Molar Volume: 128.9 cm3
Surface Tension: 60.8 dyne/cm
Enthalpy of Vaporization: 57.74 kJ/mol
Vapour Pressure: 0.000128 mmHg at 25°C
XLogP3-AA: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 5-(4-Methylphenyl)-1H-tetrazole (CAS NO.24994-04-5):
IUPAC Name: 5-(4-methylphenyl)-2H-tetrazole
Canonical SMILES: CC1=CC=C(C=C1)C2=NNN=N2
InChI: InChI=1S/C8H8N4/c1-6-2-4-7(5-3-6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKey: BCCJIAZPYBJASR-UHFFFAOYSA-N
Product Categories: API intermediates; Building Blocks; Heterocyclic Building Blocks; Tetrazoles
Safety Profile
Safety Information of 5-(4-Methylphenyl)-1H-tetrazole (CAS NO.24994-04-5):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
5-(4-Methylphenyl)-1H-tetrazole , its CAS NO. is 24994-04-5, the synonyms are 5-(p-Tolyl)(1H)tetrazole ; 5-(4-methylphenyl)-2H-tetrazole .