CAS 902137-22-8 5-(2,4-Dimethylphenyl)-1,3,4-oxadiazol-2-amine (HCID 20120079)

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Basic information

CAS: 902137-22-8
Standard SMILES: Cc1ccc(-c2nnc(N)o2)c(C)c1
InChIKey: WMTJZHAGZHSWNQ-UHFFFAOYSA-N
Molecular formula: C10H11N3O
Average molar mass: 189.21 g/mol
Monoisotopic mass: 189.09021198

Names & identifiers

Preferred name: 5-(2,4-Dimethylphenyl)-1,3,4-oxadiazol-2-amine
IUPAC: 5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
English name: 5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine(SALTDATA: FREE)
Molecular formula: C10H11N3O
Molecular weight: 189.21

Names & synonyms

5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine902137-22-8MFCD09815535F2146-0046SCHEMBL5505597DTXSID00602740WMTJZHAGZHSWNQ-UHFFFAOYSA-NSMSSF-0017555CLB13722AKOS000159336AT21221BS-38650

Show more names

1,3,4-Oxadiazol-2-amine, 5-(2,4-dimethylphenyl)-5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine(SALTDATA: FREE)

CS-02511575-(2,4-xylyl)-1,3,4-oxadiazol-2-ylamineEN300-53799AB01000539-01F310236Z285233856

Database identifiers

CAS: 902137-22-8
PubChem CID: 20120079
DTXSID: DTXSID00602740
EC Number: 139-145-0

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 64.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 200

Physicochemical properties

Melting point: 76 °C · 76 °C
Boiling point: 352.8 · 352.8±52.0 °C(Predicted)
Density: 1.191 · 1.191±0.06 g/cm3(Predicted)
pka: -1.04 · -1.04±0.26(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.