2-[5-(3,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
Basic information
- CAS
175135-30-5- Standard SMILES
Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1- InChIKey
BAHBAEPZFPEIGF-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2N3O
- Average molar mass
- 306.1 g/mol
- Monoisotopic mass
- 305.0122673
Names & identifiers
- Preferred name
- 2-[5-(3,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
- IUPAC
- 2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
- English name
- 2-[5-(3,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
- Molecular formula
- C14H9Cl2N3O
- Molecular weight
- 306.15
Names & synonyms
175135-30-52-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]aniline2-(5-(3,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl)anilineBenzenamine, 2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-Maybridge1_001587HMS546A03DTXSID80379145MFCD00052879AKOS0159123712-[5-(3,4-Dichlorophenyl)1,3,4-oxadiazol-2-yl]anilineBUTTPARK 97\57-262-(2-AMINOPHENYL)-5-(3,4-DICHLOROPHENYL)-1,3,4-OXADIAZOLE
Database identifiers
- CAS
175135-30-5- PubChem CID
- 2774643
- DTXSID
DTXSID80379145
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 493.3 · 493.3±55.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- pka
- 0.2 · 0.20±0.10(Predicted)
- form
- powder
- InChI
- 1S/C14H9Cl2N3O/c15-10-6-5-8(7-11(10)16)13-18-19-14(20-13)9-3-1-2-4-12(9)17/h1-7H,17H2
- InChIKey
- BAHBAEPZFPEIGF-UHFFFAOYSA-N
- SMILES
- ClC1=CC(C2=NN=C(C3=CC=CC=C3N)O2)=CC=C1Cl
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 273 · P273-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 · Aquatic Chronic 4
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H413
- Hazard Classifications
- Aquatic Chronic 4
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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