5-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline
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Basic information
- CAS
292058-49-2- Standard SMILES
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N- InChIKey
IXFNQNNCPOYVQV-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.0559907
Names & identifiers
- Preferred name
- 5-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline
- IUPAC
- 5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylaniline
- English name
- 5-(5-CHLORO-BENZOOXAZOL-2-YL)-2-METHYL-PHENYLAMINE
- Molecular formula
- C14H11ClN2O
- Molecular weight
- 258.7
Names & synonyms
292058-49-25-(5-Chlorobenzooxazol-2-yl)-2-methylphenylamine5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylaniline5-(5-Chlorobenzo[d]oxazol-2-yl)-2-methylaniline5-(5-Chloro-1,3-benzoxazol-2-yl)-2-methyl-aniline5-(5-chlorobenzoxazol-2-yl)-2-methylphenylamineDTXSID60352259BBL000252MFCD00656147SBB000971STK345866AKOS000108349
Show more names
AKOS BB-8179ASISCHEM T31074TIMTEC-BB SBB000971ART-CHEM-BB B025217LABOTEST-BB LT00251973Benzenamine, 5-(5-chloro-2-benzoxazolyl)-2-methyl-5-(5-CHLORO-BENZOOXAZOL-2-YL)-2-METHYL-PHENYLAMINE
CCG-106221ST013895VS-00522CS-0314154EU-0071153AG-690/09135004SR-01000430152SR-01000430152-1
Database identifiers
- CAS
292058-49-2- PubChem CID
- 721874
- DTXSID
DTXSID60352259
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 409.9 · 409.9±40.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 3.49 · 3.49±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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