2,2'-Bis(2-oxazoline)
Basic information
- CAS
36697-72-0- Standard SMILES
C1COC(C2=NCCO2)=N1- InChIKey
KKKKCPPTESQGQH-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0585775
Names & identifiers
- Preferred name
- 2,2'-Bis(2-oxazoline)
- IUPAC
- 2-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole
- English name
- 2,2'-BIS(2-OXAZOLINE)
- Molecular formula
- C6H8N2O2
- Molecular weight
- 140.14
Names & synonyms
2,2'-Bis(2-oxazoline)36697-72-0DTXSID60300634RefChem:1058892DTXCID702517692,2-bis(2-oxazoline)2-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole4,4',5,5'-tetrahydro-2,2'-bioxazolebioxazolineMFCD00059930NSC1379472-(4,5-dihydrooxazol-2-yl)-4,5-dihydrooxazole
Show more names
Bisoxazoline4,4,,5,5,-tetrahydro-2,2,-bioxazole2,2'-Bis(2-oxazoline) >2,2''-BIS(2-OXAZOLINE), 97+%2,2'-Bioxazole, 4,4',5,5'-tetrahydro-
SCHEMBL351341KKKKCPPTESQGQH-UHFFFAOYSA-NSC-137947LS-13133SY054058CS-0086521D887684,4',5,5'-Tetrahydro-2,2'-bi-1,3-oxazole
Database identifiers
- CAS
36697-72-0- PubChem CID
- 283385
- DTXSID
DTXSID60300634- Nikkaji
- J40.674K
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 213 °C · 213°C
- Boiling point
- 200.4 · 200.4±23.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- storage temp.
- 0 · 0-10°C
- Water Solubility
- Soluble in water
- form
- powder to crystal
- pka
- 3.89 · 3.89±0.50(Predicted)
- color
- White to Light yellow
- CAS DataBase Reference
- 36697 · 36697-72-0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2934999090 · 2934999090
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
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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