Basic information
- CAS
1199-02-6- Standard SMILES
O=C1N=NC(c2ccccc2)O1- InChIKey
NVXPWAAHRICPQU-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.04292744
Names & identifiers
- Preferred name
- delta(sup 2)-1,3,4-Oxadiazolin-5-one, 2-phenyl-
- IUPAC
- 2-phenyl-2H-1,3,4-oxadiazol-5-one
- English name
- 1,3,4-Oxadiazol-2(3H)-one, 5-phenyl-
- Molecular formula
- C8H6N2O2
- Molecular weight
- 162.15
Names & synonyms
delta(sup 2)-1,3,4-OXADIAZOLIN-5-ONE, 2-PHENYL-RefChem:1083096NSC 5253422-phenyl-2H-1,3,4-oxadiazol-5-one2-Phenyl-delta(sup 2)-1,3,4-oxadiazolin-5-oneSCHEMBL10833990F830582-Phenyl-1,3,4-oxadiazol-5-one5-phenyl-1,3,4-diazole-2(3H)-one5-Phenyl-3H-1,3,4-oxadiazol-2-one2-PHENYL-1,3,4-OXADIAZOL-2-IN-5-ONE1,3,4-Oxadiazol-2(3H)-one, 5-phenyl-
Database identifiers
- CAS
1199-02-6- PubChem CID
- 14538
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 136 · 136~138℃
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- solid
- Appearance
- Light yellow to yellow Solid
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · 3
- 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
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2934999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers33 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
PT CHEM GROUP LIMITED
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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