1H-1,2,4-Triazole, 3-(4-chlorophenyl)-
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Basic information
- CAS
23195-59-7- Standard SMILES
Clc1ccc(-c2ncn[nH]2)cc1- InChIKey
HWGUIDNOUFWKEA-UHFFFAOYSA-N- Molecular formula
- C8H6ClN3
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0250249
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-
- IUPAC
- 5-(4-chlorophenyl)-1H-1,2,4-triazole
- English name
- 1H-1,2,4-Triazole,5-(4-chlorophenyl)-
- Molecular formula
- C8H6ClN3
- Molecular weight
- 179.61
Names & synonyms
23195-59-71H-1,2,4-Triazole, 3-(4-chlorophenyl)-DTXSID1073442RefChem:1057716DTXCID20368273-(4-Chlorophenyl)-4H-1,2,4-triazole3-(4-Chlorophenyl)-1H-1,2,4-triazole5-(4-chlorophenyl)-1H-1,2,4-triazole1H-1,2,4-TRIAZOLE,5-(4-CHLOROPHENYL)-MFCD199815683-(4-Chloro-phenyl)-1H-[1,2,4]triazoleMFCD01939280
Show more names
SCHEMBL444271SCHEMBL970721SCHEMBL970723SCHEMBL5888122SCHEMBL8629899p-chlorophenyl-1,2,4-triazoleSCHEMBL11467256SCHEMBL27757092
Database identifiers
- CAS
23195-59-7- PubChem CID
- 90025
- DTXSID
DTXSID1073442- Nikkaji
- J1.610.668B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- EPA Substance Registry System
- 1 H-1,2,4-Triazole, · 1H-1,2,4-Triazole, 3-(4-chlorophenyl)- (23195-59-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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