2-(2-Oxobenzo[d]oxazol-3(2h)-yl)acetonitrile

Name: 2-(2-Oxobenzo[d]oxazol-3(2h)-yl)acetonitrile
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CAS No. 13610-48-5
Cat. No. CS-0270394
Molecule weight174.16
Purity95+%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-(2-Oxobenzo[d]oxazol-3(2h)-yl)acetonitrile|CS-0270394

Structure of 13610-48-5

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General Information

CAS No. 13610-48-5
Cat. No. CS-0270394
Purity 95+%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆N₂O₂
Molecular Weight 174.16
Synonym(s) (2-oxo-1,3-benzoxazol-3(2H)-yl)acetonitrile
SMILES C1=CC=C2C(=C1)N(CC#N)C(=O)O2

Synthesis

Route1
- In-stock
  
  59-49-4
- 75-05-8
- ~93%
- 13610-48-5
References
- D'Amico, John J.; Bollinger, Frederic G. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1487 - 1496
Route2
- In-stock
  
  59-49-4
- 590-17-0
- ~%
- 13610-48-5
References
- Zinner,H. et al. Journal fuer Praktische Chemie (Leipzig), 1966 , vol. 33, p. 130 - 138

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 58.93
LogP 1.11808
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzooxazole compounds

Key Words

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2-(2-Oxobenzo[d]oxazol-3(2h)-yl)acetonitrile

CAS No. 13610-48-5

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General Information

Synthesis

References