4,7-Dibromo-2,1,3-benzoselenadiazole
Basic information
- CAS
63224-42-0- Standard SMILES
Brc1ccc(Br)c2n[se]nc12- InChIKey
MVYRQFKGUCDJAB-UHFFFAOYSA-N- Molecular formula
- C6H2Br2N2Se
- Average molar mass
- 340.87 g/mol
- Monoisotopic mass
- 339.77499
Names & identifiers
- Preferred name
- 4,7-Dibromo-2,1,3-benzoselenadiazole
- IUPAC
- 4,7-dibromo-2,1,3-benzoselenadiazole
- English name
- 4,7-Dibromo-2,1,3-benzoselenadiazole
- Molecular formula
- C6H2Br2N2Se
- Molecular weight
- 340.86
Names & synonyms
4,7-Dibromo-2,1,3-benzoselenadiazole63224-42-0DTXSID60348157RefChem:286034DTXCID90299229679-875-14,7-Dibromobenzo[c][1,2,5]selenadiazoleMFCD006174794,7-Dibromo-benzo[1,2,5]selenadiazoleSCHEMBL2050788AKOS0032322294,7-Dibromo-2,1,3-benzoselenadiazole #
Show more names
BSe-2Br4,7-Dibromo-2,1,3-Benzosenidazole4,7-dibromobenzo[1,2,5]selenadiazole2,1,3-Benzoselenadiazole, 4,7-dibromo-4,7-Dibromo-2,1,3-benzoselenadiazole>4,7-dibromo-2,1,3-benzenebenzoseleniumdiazole
CS-0159993D3944T71157AMY41241C6H2Br2N2Se4,7-dibromobenzo[c]1,2,5-selenadiazoleSY056211DB-339942
Database identifiers
- CAS
63224-42-0- PubChem CID
- 631165
- DTXSID
DTXSID60348157- EC Number
- 679-875-1
- Nikkaji
- J1.896.109A
Properties
Computed structural properties
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 287 °C · 287°C(lit.)
- Boiling point
- 364.4 · 364.4±45.0 °C(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- -3.23 · -3.23±0.50(Predicted)
- color
- Light yellow to Amber to Dark green
- InChI
- InChI=1S/C6H2Br2N2Se/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
- InChIKey
- MVYRQFKGUCDJAB-UHFFFAOYSA-N
- SMILES
- N1=C2C(Br)=CC=C(Br)C2=N[Se]1
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H331-H373-H410
- Precautionary statements
- 260 · P260-P264-P270-P271-P273-P301+P310+P330-P304+P340+P311-P314-P391-P403+P233-P405-P501
- RIDADR
- 3283 · 3283
- HS Code
- 2931.9 · 2931.90.6000
- HazardClass
- 6.1 · 6.1
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P321, P330, P391, 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. 3 (100%)
Safety data
- ridadr
- 3283
- hs_code
- 2931.90.6000
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301+H331-H373-H410
- Precautionary statements
- P260-P264-P270-P271-P273-P301+P310+P330-P304+P340+P311-P314-P391-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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