5-chloro-3-cyclopropyl-1H-1,2,4-Triazole
Basic information
- CAS
1279219-26-9- Standard SMILES
Clc1nc(C2CC2)n[nH]1- InChIKey
VSIVEKRHRRGFPK-UHFFFAOYSA-N- Molecular formula
- C5H6ClN3
- Average molar mass
- 143.57 g/mol
- Monoisotopic mass
- 143.0250249
Names & identifiers
- Preferred name
- 5-chloro-3-cyclopropyl-1H-1,2,4-Triazole
- IUPAC
- 3-chloro-5-cyclopropyl-1H-1,2,4-triazole
- English name
- 5-Chloro-3-cyclopropyl-1H-1,2,4-triazole
- Molecular formula
- C5H6ClN3
- Molecular weight
- 143.57
Names & synonyms
5-chloro-3-cyclopropyl-1H-1,2,4-Triazole1279219-26-93-chloro-5-cyclopropyl-1H-1,2,4-triazoleMFCD20279443STL146870AKOS005747104AKOS013567138AKOS023790975AT12313DA-12994VS-117083-chloro-5-cyclopropyl-4H-1,2,4-triazole
Show more names
1H-1,2,4-Triazole, 5-chloro-3-cyclopropyl-
F313144
Database identifiers
- CAS
1279219-26-9- PubChem CID
- 52897357
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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