1,3,4-Oxadiazole, 2-amino-5-(o-tolyl)-
Basic information
- CAS
1750-78-3- Standard SMILES
Cc1ccccc1-c1nnc(N)o1- InChIKey
FOBZVVKLLZAFGN-UHFFFAOYSA-N- Molecular formula
- C9H9N3O
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.07456192
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole, 2-amino-5-(o-tolyl)-
- IUPAC
- 5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
- English name
- 5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
- Molecular formula
- C9H9N3O
- Molecular weight
- 175.19
Names & synonyms
1750-78-35-(2-methylphenyl)-1,3,4-oxadiazol-2-amine2-Amino-5-(o-tolyl)-1,3,4-oxadiazole1,3,4-OXADIAZOLE, 2-AMINO-5-(o-TOLYL)-DTXSID80169922RefChem:412380DTXCID4092413866-117-15-(o-Tolyl)-1,3,4-oxadiazol-2-amineMFCD006528241,3,4-Oxadiazol-2-amine, 5-(2-methylphenyl)-2-amino-5-(2-methylphenyl)-1,3,4-oxadiazole
Show more names
[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amine5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine(SALTDATA: FREE)
SCHEMBL13170400ALBB-014853AKOS000123155AS-43477DB-064984CS-0448298EN300-35984F310239
Database identifiers
- CAS
1750-78-3- PubChem CID
- 15637
- DTXSID
DTXSID80169922- EC Number
- 866-117-1
- Nikkaji
- J42.565F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 276 · 276-277 °C
- Boiling point
- 346.5 · 346.5±35.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- pka
- -1.14 · -1.14±0.13(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- 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.
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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