Basic information
- CAS
5711-61-5- Standard SMILES
COc1ccc(-c2nnc(N)o2)cc1- InChIKey
IEJVXWOVBNWQCY-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.06947654
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
- English name
- 2-Amino-5-(4-methoxyphenyl)-1,3,4-oxadiazole
- Molecular formula
- C9H9N3O2
- Molecular weight
- 191.19
Names & synonyms
5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine5711-61-5DTXSID40350455RefChem:101708DTXCID80301522626-197-92-Amino-5-(4-methoxyphenyl)-1,3,4-oxadiazoleMFCD00457972C9H9N3O25-(4-methoxyphenyl)-1,3,4-oxadiazole-2-ylamine1,3,4-Oxadiazol-2-amine,5-(4-methoxyphenyl)-5838AE
Show more names
AKOS B014637BUTTPARK 154\17-91ART-CHEM-BB B014637TIMTEC-BB SBB0002972-AMINO-5-(4-METHOXYPHENYL)-1,3,4-OXADI&1,3,4-Oxadiazol-2-amine, 5-(4-methoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylamine2-Amino-5-(4-methoxyphenyl)-1,3,4-oxadiazole 97%
Cambridge id 5311359SCHEMBL1143809ALBB-001975BBL013688SBB000297STK346833AKOS000123773AKOS015894722
Database identifiers
- CAS
5711-61-5- PubChem CID
- 679504
- DTXSID
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 245 · 245-249℃
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C9H9N3O2/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
- InChIKey
- IEJVXWOVBNWQCY-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1)-c2nnc(N)o2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesWith the deepening research on five-membered heterocycles, the variety of heterocyclic variation sites has become apparent. Some 1,3,4-oxadiazole compounds have already been commercialized in the pesticide field, such as the protoporphyrin oxidase inhibitors Oxadiargyl and Oxadiazon launched by Rhône-Plextor in France. Oxadiargyl can control barnyardgrass (annual and perennial grasses) and Cyperus difformis (a type of sedge) in rice and potato fields. Therefore, based on the structural characteristics of 1,3,4-oxadiazole compounds, their activities are classified into insecticidal, fungicidal, herbicidal, and antiviral activities, and the research trends of this class of compounds are also discussed.
Suppliers22 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Aladdin Scientific[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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