-
Name
3-Chloro-1,2,4-triazole
- EINECS 229-892-1
- CAS No. 6818-99-1
- Article Data12
- CAS DataBase
- Density 1.78g/cm3
- Solubility
- Melting Point 167.0 to 171.0 °C
- Formula C2H2 Cl N3
- Boiling Point 127.1oC at 760 mmHg
- Molecular Weight 103.511
- Flash Point 30.7oC
- Transport Information
- Appearance
- Safety
- Risk Codes 20/21/22-36/37/38-22
-
Molecular Structure
- Hazard Symbols
- Synonyms 1H-1,2,4-Triazole,3-chloro- (9CI); s-Triazole, 3-chloro- (6CI,7CI,8CI); 3-Chloro-1,2,4-triazole;3-Chloro-1H-1,2,4-triazole; 3-Chloro-s-triazole;5-Chloro-1H-[1,2,4]triazol-3-ylamine; NSC 153381
- PSA 41.57000
- LogP 0.45810
3-Chloro-1,2,4-triazole Chemical Properties
Molecular Structure of 3-Chloro-1,2,4-triazole (CAS NO.6818-99-1):
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IUPAC Name: 5-Chloro-1H-1,2,4-triazole
Molecular Formula: C2H2ClN3
Molecular Weight: 103.51
EINECS: 229-892-1
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Index of Refraction: 1.571
Molar Refractivity: 21.76 cm3
Molar Volume: 66.1 cm3
Surface Tension: 69.5 dyne/cm
Density: 1.564 g/cm3
Flash Point: 147.3 °C
Enthalpy of Vaporization: 51.45 kJ/mol
Boiling Point: 276 °C at 760 mmHg
Vapour Pressure: 0.00491 mmHg at 25 °C
Canonical SMILES: C1=NNC(=N1)Cl
InChI: InChI=1S/C2H2ClN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)
InChIKey: QGOUKZPSCTVYLX-UHFFFAOYSA-N
3-Chloro-1,2,4-triazole Safety Profile
Safety Information of 3-Chloro-1,2,4-triazole (CAS NO.6818-99-1):
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
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.
3-Chloro-1,2,4-triazole Specification
3-Chloro-1,2,4-triazole (CAS NO.6818-99-1), its Synonyms are 3-Chloro-1H-1,2,4-triazole ; 3-Chloro-s-triazole ; 1H-1,2,4-Triazole, 3-chloro- ; 1H-1,2,4-Triazole, 5-chloro- ; s-Triazole, 3-chloro- (VAN) (8CI) ; 1H-1,2,4-Triazole,3-chloro- (9CI) ; s-Triazole, 3-chloro- (6CI,7CI,8CI) .
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