3-Propionyl-2-benzoxazolinone

HCID 843791
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Basic information

CAS
33388-19-1
Standard SMILES
CCC(=O)n1c(=O)oc2ccccc21
InChIKey
VBWYZPGRKYRKNV-UHFFFAOYSA-N
Molecular formula
C10H9NO3
Average molar mass
191.18 g/mol
Monoisotopic mass
191.05824315

Names & identifiers

Preferred name
3-Propionyl-2-benzoxazolinone
IUPAC
3-propanoyl-1,3-benzoxazol-2-one
English name
3-Propionyl-2-benzoxazolinone
Molecular formula
C10H9NO3
Molecular weight
191.18

Names & synonyms

3-Propionyl-2-benzoxazolinone33388-19-1DTXSID90357111RefChem:281937DTXCID603081703-Propionylbenzo[d]oxazol-2(3H)-one3-propanoyl-1,3-benzoxazol-2-one3-Propionyl-2-benzoxazolone2(3H)-Benzoxazolone,3-(1-oxopropyl)-3-propanoyl-2,3-dihydro-1,3-benzoxazol-2-oneN-propionyl-2-benzoxazoloneN-propionyl-2-benzoxazolinone
Show more names
3-Propionyl-3H-benzooxazol-2-one3-PROPIONYL-2-BENZOXAZOLINONE 98%N-Propionyl-2-benzoxazolinone 98%2(3H)-BENZOXAZOLONE, 3-(1-OXOPROPYL)-3-(1-oxopropyl)-3a,7a-dihydro-1,3-benzoxazol-2-one
SCHEMBL3866731VBWYZPGRKYRKNV-UHFFFAOYSA-NAKOS000511170CCG-1892793-propanoyl-1,3-benzoxazol-2(3H)-oneAC-18170DB-048394H63758

Database identifiers

CAS
33388-19-1
PubChem CID
843791
DTXSID
DTXSID90357111
Nikkaji
J944.738E

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Boiling point
305.7 · 305.7±25.0 °C(Predicted)
Density
1.319 · 1.319±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
-1.25 · -1.25±0.20(Predicted)
CAS DataBase Reference
33388 · 33388-19-1(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers9 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
苏州敬同药业有限公司13675155016 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

Related reactions

38 records
New reaction record

Compound notes

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