1H-1,2,4-Triazole, 3-bromo-5-methyl-
Basic information
- CAS
26557-90-4- Standard SMILES
Cc1nc(Br)n[nH]1- InChIKey
BMTIGKUJWSEHHI-UHFFFAOYSA-N- Molecular formula
- C3H4BrN3
- Average molar mass
- 161.99 g/mol
- Monoisotopic mass
- 160.95886
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 3-bromo-5-methyl-
- IUPAC
- 3-bromo-5-methyl-1H-1,2,4-triazole
- English name
- 1H-1,2,4-Triazole, 3-bromo-5-methyl-
- Molecular formula
- C3H4BrN3
- Molecular weight
- 161.99
Names & synonyms
26557-90-41H-1,2,4-Triazole, 3-bromo-5-methyl-s-Triazole, 3-bromo-5-methyl-DTXSID70181133RefChem:79639DTXCID80103624BMTIGKUJWSEHHI-UHFFFAOYSA-N3-Bromo-5-methyl-1H-1,2,4-triazole5-Bromo-3-methyl-1H-1,2,4-triazole3-Bromo-5-methyl-4H-1,2,4-triazole1H-1,2,4-Triazole, 5-bromo-3-methyl-MFCD13188583
Show more names
3-bromo-5-methyl-1H-1,2,4-triazole(SALTDATA: FREE)
15777-57-8SCHEMBL6595283SCHEMBL7810330SCHEMBL7815673SCHEMBL16892321ALBB-012819BBL032367STL250130
Database identifiers
- CAS
26557-90-4- PubChem CID
- 141304
- DTXSID
DTXSID70181133- EC Number
- 819-136-4
- Nikkaji
- J113.045E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 67.2
Physicochemical properties
- Melting point
- 168 °C · 168 °C
- Boiling point
- 309.2 · 309.2±25.0 °C(Predicted)
- Density
- 1.869 · 1.869±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- pka
- 8.26 · 8.26±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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_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
Loading…