5-(4-Bromophenyl)-1,3,4-oxadiazol-2-amine
Basic information
- CAS
33621-62-4- Standard SMILES
Nc1nnc(-c2ccc(Br)cc2)o1- InChIKey
UNSGGKLETSYTPE-UHFFFAOYSA-N- Molecular formula
- C8H6BrN3O
- Average molar mass
- 240.06 g/mol
- Monoisotopic mass
- 238.96942
Names & identifiers
- Preferred name
- 5-(4-Bromophenyl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-(4-bromophenyl)-1,3,4-oxadiazol-2-amine
- English name
- 5-(4-Bromophenyl)-1,3,4-oxadiazol-2-amine
- Molecular formula
- C8H6BrN3O
- Molecular weight
- 240.06
Names & synonyms
5-(4-Bromophenyl)-1,3,4-oxadiazol-2-amine33621-62-4DTXSID90326761RefChem:299805DTXCID80277874961-209-95-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylamineMFCD00461383F2146-0039NSC6144481,3,4-Oxadiazol-2-amine, 5-(4-bromophenyl)-CHEMBL6033003
Show more names
IFLAB-BB F2146-0039UKRORGSYN-BB BBV-048898JR-13810, 5-(4-Bromophenyl)-1,3,4-oxadiazol-2-amine, 95%
SCHEMBL15718167UNSGGKLETSYTPE-UHFFFAOYSA-NBDBM395374SMSSF-0017335IBA62162US10308636, Example 61AKOS000158682NSC-614448
Database identifiers
- CAS
33621-62-4- PubChem CID
- 356897
- DTXSID
DTXSID90326761- ChEMBL
CHEMBL6033003- EC Number
- 961-209-9
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 173
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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